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1.  catena-Poly[[di­aqua­bis­(4-formyl­benzo­ato-κO 1)nickel(II)]-μ-pyrazine-κ2 N:N′] 
In the title polymeric compound, [Ni(C8H5O3)2(C4H4N2)(H2O)2]n, the NiII atom is located on a twofold rotation axis and has a slightly distorted octa­hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl­ate O atoms of two symmetry-related monodentate formyl­benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis­ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol­ecules. In the formyl­benzoate anion, the carboxyl­ate group is twisted away from the attached benzene ring by 7.0 (6)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 66.2 (3)°. The pyrazine ligands bridge the NiII cations, forming polymeric chains running along the b-axis direction. Intra­molecular O—H⋯O hydrogen bonds link the water ligands to the carboxyl­ate O atoms. In the crystal, water–water O—H⋯O hydrogen bonds link adjacent chains into layers parallel to the bc plane. Pyrazine–formyl C—H⋯O hydrogen bonds link the layers, forming a three-dimensional network. There are also weak C—H⋯π inter­actions present. The title compound is isotypic with the copper(II) complex [Çelik et al. (2014a). Acta Cryst. E70, m4–m5].
doi:10.1107/S160053681400155X
PMCID: PMC3998267  PMID: 24764828
2.  catena-Poly[[aqua­bis­(4-formyl­benzoato-κ2 O 1,O 1′)cadmium]-μ-pyrazine-κ2 N:N′] 
The polymeric title compound, [Cd(C8H5O3)2(C4H4N2)(H2O)]n, contains two 4-formyl­benzoate (FB) anions, one pyrazine mol­ecule and one coordinating water mol­ecule; the FB anions act as bidentate ligands. The O atom, the aldehyde H atom and the benzene ring of one of the FB anions are disordered over two positions. The O atoms were freely refined [refined occupancy ratio 0.79 (2):0.21 (2)], while the aldehyde H atoms and the benzene ring atoms were refined with fixed occupancy ratios of 0.8:0.2 and 0.5:0.5, respectively. In the ordered FB anion, the carboxyl­ate group is twisted away from the attached benzene ring (A) by 22.7 (8)°. In the disordered FB anion, the corresponding angles are 15.6 (10) and 11.4 (11)° for rings B and B′, respectively. Benzene rings A and B are oriented at a dihedral angle of 24.2 (7), A and B′ at 43.0 (8)°. The pyrazine ring makes dihedral angles of 67.5 (4), 89.6 (7) and 86.2 (7)°, respectively, with benzene rings A, B and B′. The pyrazine ligands bridge the CdII cations, forming polymeric chains running along the b-axis direction. In the crystal, O—Hwater ⋯ Ocarboxyl­ate hydrogen bonds link adjacent chains into layers parallel to the bc plane. These layers are linked via C—Hpyrazine ⋯ Oform­yl hydrogen bonds, forming a three-dimensional network. π–π interactions [centroid–centroid distances = 3.870 (11)–3.951 (5) Å] further stabilize the crystal structure. There is also a weak C—H⋯π inter­action present.
doi:10.1107/S1600536813035010
PMCID: PMC3998250  PMID: 24764811
3.  catena-Poly[[di­aqua­bis­(4-formyl­benzoato-κO 1)copper(II)]-μ-pyrazine-κ2 N:N′] 
In the title polymeric compound, [Cu(C8H5O3)2(C4H4N2)(H2O)2]n, the CuII atom is located on a twofold rotation axis and has a slightly distorted octa­hedral coordination sphere. In the equatorial plane, it is coordinated by two carboxyl­ate O atoms of two symmetry-related monodentate formyl­benzoate anions and by two N atoms of the bridging pyrazine ligand, which is bis­ected by the twofold rotation axis. The axial positions are occupied by two O atoms of the coordinating water mol­ecules. In the formyl­benzoate anion, the carboxyl­ate group is twisted away from the attached benzene ring by 6.2 (2)°, while the benzene and pyrazine rings are oriented at a dihedral angle of 68.91 (8)°. The pyrazine ligands bridge the CuII cations, forming polymeric chains running along the b-axis direction. Strong intra­molecular O—H⋯O hydrogen bonds link the water mol­ecules to the carboxyl­ate O atoms. In the crystal, O—Hwater⋯Owater hydrogen bonds link adjacent chains into layers parallel to the bc plane. The layers are linked via C—Hpyrazine⋯Oform­yl hydrogen bonds, forming a three-dimensional network. There are also weak C—H⋯π inter­actions present.
doi:10.1107/S1600536813032297
PMCID: PMC3914040  PMID: 24526956
4.  catena-Poly[[aqua­bis­(3-chloro­benzoato-κ2 O,O′)cadmium]-μ-N,N-di­ethyl­nico­tin­amide-κ2 N 1:O] 
In the crystal of the title CdII polymeric complex, [Cd(C7H4ClO2)2(C10H14N2O)(H2O)]n, the CdII cation is chelated by two chloro­benzoate anions and coordinated by two N,N-di­­ethyl­nicotinamide (DENA) ligands and one water mol­ecule in a distorted NO6 penta­gonal–bipyramidal geometry. The CdII cations are bridged by the pyridine N atom and carbonyl O atom of the DENA ligand to form a polymeric chain running along the b axis. Inter­molecular O—H⋯O hydrogen bonds between coordinating water mol­ecules and carboxyl­ate groups link adjacent chains into layers parallel to the bc plane. π–π contacts between benzene rings [shortest centroid–centroid distance = 3.912 (2) Å] further stabilizes the crystal structure. In the mol­ecule, weak C—H⋯O hydrogen bonds occur between the pyridine ring and carboxyl­ate groups; the dihedral angles between the carboxyl­ate groups and adjacent benzene rings are 4.6 (3) and 12.8 (3)°, while the benzene rings are oriented at a dihedral angle of 1.89 (13)°.
doi:10.1107/S160053681301965X
PMCID: PMC3793697  PMID: 24109284
5.  Aqua­bis­(3-chloro­benzoato-κO)bis­(N,N-di­ethyl­nicotinamide-κN)copper(II) 
The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the CuII cation and the O atom of the coordinating water mol­ecule located on the axis. The CuII cation is coordinated by two carboxyl­ate O atoms of chloro­benzoate (CB) anions, two N atoms of N,N-di­ethyl­nicotinamide (DENA) ligands and one water mol­ecule in a distorted N2O3 square-pyramidal geometry. The benzene and pyridine rings are oriented at a dihedral angle of 82.51 (6)°. In the anionic ligand, the carboxyl­ate group is twisted away from the attached benzene ring by 12.85 (11)°. In the crystal, O—H⋯O hydrogen bonds between the coordinating water mol­ecule and the carboxyl group link the complex mol­ecules into supra­molecular chains running along the c-axis direction.
doi:10.1107/S1600536813018989
PMCID: PMC3793693  PMID: 24109280
6.  Tetra­kis(μ-3-chloro­benzoato-κ2 O:O′)bis­[(N,N-di­ethyl­nicotinamide-κN 1)copper(II)] 
In the title centrosymmetric binuclear CuII complex, [Cu2(C7H4ClO2)4(C10H14N2O)2], the two CuII cations [Cu⋯Cu = 2.6314 (4) Å] are bridged by four 3-chloro­benzoate (CB) anions. The four carboxyl­ate O atoms around each CuII cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-di­ethyl­nicotinamide (DENA) mol­ecule. The dihedral angle between the benzene ring and the carboxyl­ate group is 4.49 (11)° in one of the independent CB ligands and 12.00 (10)° in the other. The benzene rings of the independent CB ligands are oriented at a dihedral angle of 84.13 (6)°. In the crystal, weak C—H⋯O hydrogen bonds link the binuclear complex mol­ecules into supra­molecular chains running along [101].
doi:10.1107/S1600536813017881
PMCID: PMC3793677  PMID: 24109264
7.  catena-Poly[aqua­bis­(μ-3-chloro­benzo­ato-κ2 O:O′)zinc] 
In the polymeric title compound, [Zn(C7H4ClO2)2(H2O)]n, the ZnII cation is located on a twofold rotation axis and is coordinated by carboxylate O atoms of four monodentate chloro­benzoate anions and by one water mol­ecule, located on a twofold rotation axis, in a distorted square-pyramidal geometry. In the anion, the carboxyl­ate group is twisted away from the attached benzene ring by 44.16 (11)°. The chloro­benzoate anion bridges ZnII cations, forming polymeric chains running along the c-axis direction. O—H⋯O hydrogen bonds between coordinating water mol­ecules and carboxyl­ate groups link adjacent chains into layers parallel to the bc plane.
doi:10.1107/S160053681301564X
PMCID: PMC3772418  PMID: 24046561
8.  Di-μ-nicotinamide-κ2 N 1:O;κ2 O:N 1-bis­[aqua­bis­(3-chloro­benzoato-κ2 O,O′)cadmium] 
In the centrosymmetric dinuclear title compound, [Cd2(C7H4ClO2)4(C6H6N2O)2(H2O)2], the CdII atom is coord­inated by one N atom from one bridging nicotinamide ligand and one O atom from another symmetry-related bridging nicotinamide ligand, four O atoms from two 3-chloro­benzoate ligands and one water mol­ecule in an irregular geometry. The dihedral angles between the carboxyl­ate groups and the adjacent benzene rings are 6.98 (12) and 2.42 (13)°, while the benzene rings are oriented at a dihedral angle of 4.33 (6)°. Inter­molecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π inter­actions, indicated by short centroid–centroid distances [3.892 (1) Å between the pyridine rings and 3.683 (1) Å between the benzene rings] further stabilize the structure.
doi:10.1107/S1600536813015948
PMCID: PMC3772423  PMID: 24046566
9.  Bis(3-chloro­benzoato-κ2 O,O′)bis­(nicotinamide-κN)copper(II) 
The mol­ecule of the title CuII complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chloro­benzoate (CB) and two nicotinamide (NA) ligands; the CB act as bidentate ligands, while the NA are monodentate ligands. The resulting CuN2O4 coordination polyhedron is a considerably distorted octahedron. The dihedral angles between the carboxyl­ate groups and the adjacent benzene rings are 17.92 (12) and 24.69 (16)°, while the two benzene rings and the two pyridine rings are oriented at dihedral angles of 52.20 (8) and 1.56 (6)°. In the crystal, N—H⋯N and C—H⋯O hydrogen bonds link the mol­ecules into a three–dimensional network. The π–π contact between the benzene rings [centroid–centroid distance = 3.982 (2) Å] may further stabilize the crystal structure.
doi:10.1107/S1600536813014694
PMCID: PMC3772403  PMID: 24046546
10.  Di­aqua­bis­(3-chloro­benzoato-κO)bis­(nicotinamide-κN 1)cobalt(II) 
In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII atom is located on an inversion center and is coordinated by two 3-chloro­benzoate (CB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 9.14 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 82.18 (8)°. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds link the mol­ecules into a two-dimensional network lying parallel to (101). π–π stacking between parallel pyridine rings of adjacent mol­ecules [centroid–centroid distance = 3.7765 (8) Å] further stabilizes the crystal structure.
doi:10.1107/S160053681301458X
PMCID: PMC3684906  PMID: 23795008
11.  Bis(μ-4-formyl­benzoato-κ2 O:O′)bis­[(4-formyl­benzoato-κ2 O,O′)bis­(iso­nicotin­amide-κN 1)copper(II)] 
The asymmetric unit of the centrosymmetric dinuclear title compound, [Cu2(C8H5O3)4(C6H6N2O)4], contains one half of the complex mol­ecule. The CuII atoms are bridged by the carboxyl­ate groups of two 4-formyl­benzoate (FOB) anions. Besides the two bridging FOB anions, one additional chelating FOB anion and two isonicotinamide (INA) ligands complete the distorted CuN2O4 octa­hedral coordination of each Cu2+ cation. Within the asymmetric unit, the benzene and pyridine rings are oriented at dihedral angles of 25.1 (3) and 12.6 (3)°, respectively. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. π–π contacts between the pyridine rings [shortest centroid–centroid distance = 3.821 (3) Å] may further stabilize the crystal structure. One of the formyl groups of the two FOB anions is disordered over two sets of sites with an occupancy ratio of 0.65:0.35.
doi:10.1107/S1600536813010908
PMCID: PMC3647822  PMID: 23723788
12.  trans-Tetra­aqua­bis­(isonicotinamide-κN 1)zinc bis­(3-hy­droxy­benzoate) tetra­hydrate 
The asymmetric unit of the title compound, [Zn(C6H6N2O)2(H2O)4](C7H5O3)2·4H2O, contains half of the complex cation with the ZnII ion located on an inversion center, a 3-hy­droxy­benzoate counter-anion and two uncoordinating water mol­ecules. Four water O atoms in the equatorial plane around the ZnII ion [Zn—O = 2.089 (2) and 2.128 (2) Å] form a slightly distorted square-planar arrangement and the distorted octa­hedral geometry is completed by the two N atoms [Zn—N = 2.117 (2) Å] from two isonicotinamide ligands. In the anion, the carboxyl­ate group is twisted from the attached benzene ring at 9.0 (2)°. In the crystal, a three-dimensional hydrogen-bonding network, formed by classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds, consolidates the crystal packing, which exhibits π–π stacking between the benzene and pyridine rings, with centroid–centroid distances of 3.458 (2) and 3.609 (2) Å. One of the two H atoms of each uncoordinating water mol­ecule is disordered over two orientations with an occupancy ratio of 0.60:0.40.
doi:10.1107/S1600536813006466
PMCID: PMC3629480  PMID: 23633998
13.  Diaqua­bis­(2-hy­droxy­benzoato-κO 1)bis­(nicotinamide-κN 1)cadmium–diaqua­bis­(2-hy­droxy­benzoato-κ2 O 1,O 1′)(nico­tin­amide-κN)cadmium–water (1/2/4) 
The crystal structure of the title compound, [Cd(C7H5O3)2(C6H6NO)2(H2O)2]·2[Cd(C7H5O3)2(C6H6NO)(H2O)2]·4H2O, consists of two kinds of CdII complexes (A and B) and lattice water mol­ecules. In complex A, [Cd(C7H5O3)2(C6H6NO)2(H2O)2], the CdII cation is located on an inversion center and is coordinated by two salicylate anions, two nicotinamide (NA) ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. In complex B, [Cd(C7H5O3)2(C6H6NO)(H2O)2], the CdII cation is coordinated by two salicylate anions, one nicotinamide (NA) ligand and two water mol­ecules in an irregular seven-coordinate geometry. There are extensive intra­molecular O—H⋯O and weak C—H⋯O hydrogen bonds as well as extensive inter­molecular O—H⋯O and N—H⋯O hydrogen bonding in the crystal structure. π–π stacking between the pyridine and benzene rings, between the benzene rings, between the benzene and pyridine rings and between the pyridine rings [centroid–centroid distances = 3.5989 (10), 3.6005 (10), 3.5800 (9) and 3.5205 (10) Å, respectively] further stabilize the crystal structure. A weak N—H⋯π inter­action also occurs. One of the lattice water mol­ecules is disordered over two positions with an occupancy ratio of 0.70:0.30.
doi:10.1107/S1600536813006168
PMCID: PMC3629475  PMID: 23633993
14.  Diaqua­bis­(2-chloro­benzoato-κO)bis­(nicotinamide-κN 1)cobalt(II) 
In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coord­inated by two 2-chloro­benzoate anions, two nicotin­amide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 29.7 (4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17 (15)°. Intra­molecular O—H⋯O hydrogen bonding occurs between the carboxyl­ate group and coordinating water mol­ecule. In the crystal, inter­molecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536813004984
PMCID: PMC3588457  PMID: 23476513
15.  Bis(μ-4-methyl­benzoato)-κ3 O,O′:O;κ3 O:O,O′-bis­[aqua­(4-methyl­benzoato-κ2 O,O′)(nicotinamide-κN 1)cadmium] 
In the dinuclear centrosymmetric title compound, [Cd2(C8H7O2)4(C6H6N2O)2(H2O)2], the CdII ion is chelated by two carboxyl­ate groups from 4-methyl­benzoate anions, and is further coordinated by one nicotinamide and one water mol­ecule; a carboxyl­ate O atom from an adjacent 4-methyl­benzoate anion bridges to the CdII ion, completing the irregular coordination sphere of the seven ligand atoms. In the crystal, inter­molecular O—H⋯O, N—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network. The methyl­benzene moiety of one bridging 4-methyl­benzoate anion is disordered over two orientations of equal occupancy.
doi:10.1107/S1600536812047046
PMCID: PMC3588758  PMID: 23468723
16.  Poly[(μ5-2,2′-bipyridine-5,5′-dicarboxyl­ato)lead(II)] 
In the title polymeric compound, [Pb(C12H6N2O4)]n, the PbII cation, located on a mirror plane, is N,N′-chelated by a 2-2′-bipyridine-5,5′-dicarboxyl­ate (bpdc) anion and is further coordinated by six O atoms from four carboxyl groups of bpdc anions in an irregular N2O6 geometry. The carboxylate groups bridge the PbII cations, forming a three-dimensional polymeric structure. The carboxyl­ate group is twisted away from the attached pyridine ring by 11.4 (3)°.
doi:10.1107/S1600536812035647
PMCID: PMC3435613  PMID: 22969486
17.  Diaqua­bis­(2-iodo­benzoato-κO)bis­(nicotinamide-κN 1)copper(II) 
In the title complex, [Cu(C7H4IO2)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two monodentate 2-iodo­benzoate (IB) anions, two nicotinamide (NA) ligands and two water mol­ecules in a distorted octa­hedral coordination geometry. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 32.12 (14)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.02 (5)°. The coordinating water mol­ecule links with the carboxyl­ate group via an intra­molecular O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network.
doi:10.1107/S1600536812034587
PMCID: PMC3435587  PMID: 22969460
18.  Diaqua­bis­(4-formyl­benzoato-κO 1)bis­(nicotinamide-κN 1)zinc 
In the title complex, [Zn(C8H5O3)2(C6H6N2O)2(H2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formyl­benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the ZnII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 24.13 (8)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 88.52 (4)°. The coordinating water mol­ecule links with the carboxyl­ate group via an O—H⋯O hydrogen bond. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds, and a weak C—H⋯π inter­action link the mol­ecules into a two-dimensional network parallel to (010). These networks are linked via C—H⋯O and π–π inter­actions between inversion-related benzene rings [centroid–centroid distance = 3.8483 (7) Å], forming a three-dimensional supra­molecular structure.
doi:10.1107/S160053681203320X
PMCID: PMC3414168  PMID: 22904775
19.  Diaqua­bis­(4-formyl­benzoato-κO 1)bis­(nicotinamide-κN 1)cobalt(II) 
In the title complex, [Co(C8H5O3)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 4-formyl­benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 23.91 (9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84 (4)°. The coordinating water mol­ecule links with the carboxyl­ate group via an intra­molecular O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network. π–π stacking between the parallel benzene rings of adjacent mol­ecules [centroid–centroid distance = 3.8505 (8) Å] may further stabilize the structure. A weak C—H⋯π inter­action also occurs in the crystal.
doi:10.1107/S1600536812032205
PMCID: PMC3414145  PMID: 22904752
20.  Diaqua­bis­(N,N-diethyl­nicotinamide-κN 1)bis­(4-formyl­benzoato-κO 1)zinc 
In the title complex, [Zn(C8H5O3)2(C10H14N2O)2(H2O)2], the ZnII cation is located on an inversion center and is coordinated by two 4-formyl­benzoate anions, two N,N-diethyl­nicotinamide (DENA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the ZnII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water mol­ecule links with the carboxyl­ate group via an intra­molecular O—H⋯O hydrogen bond. In the crystal, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network. A π–π contact between the parallel pyridine rings of adjacent mol­ecules may further stabilize the crystal structure [centroid–centroid distance = 3.5654 (8) Å].
doi:10.1107/S1600536812031200
PMCID: PMC3414129  PMID: 22904736
21.  Diaqua­bis­(4-formyl­benzoato-κO 1)bis­(nicotinamide-κN 1)copper(II) 
In the title complex, [Cu(C8H5O3)2(C6H6N2O)2(H2O)2], the CuII cation is located on an inversion center and is coordinated by two 4-formyl­benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol­ecules in an elongated distorted octa­hedral geometry. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 23.00 (10)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 85.34 (4)°. An intra­molecular O—H⋯O hydrogen bond occurs between coordinating water mol­ecule and the carboxyl­ate group. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network. A weak C—H⋯π inter­action also occurs in the crystal.
doi:10.1107/S1600536812028814
PMCID: PMC3393247  PMID: 22807707
22.  Diaqua­bis­(4-formyl­benzoato-κO 1)bis­(nicotinamide-κN 1)nickel(II) 
In the title complex, [Ni(C8H5O3)2(C6H6N2O)2(H2O)2], the NiII cation is located on an inversion center and is coordinated by two 4-formyl­benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the NiII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 23.67 (8)°, while the pyridine and benzene rings are oriented at an angle of 89.04 (4)°. The coordinating water mol­ecule links with the carboxyl­ate group via an O—H⋯O hydrogen bond. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network. π–π contacts between benzene rings [centroid–centroid distance = 3.8414 (7) Å] may further stabilize the structure. A weak C—H⋯π inter­action also occurs.
doi:10.1107/S1600536812026943
PMCID: PMC3393204  PMID: 22807772
23.  catena-Poly[[aqua­(2-iodo­benzoato-κO)cobalt(II)]-μ-aqua-μ-2-iodo­benzoato-κ2 O:O′] 
The asymmetric unit of the polymeric title compound, [Co(C7H4IO2)2(H2O)2]n, contains one CoII cation, two iodo­benzoate anions and two water mol­ecules. One iodo­benzoate anion and one water mol­ecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodo­benzoate anion and water mol­ecule coordinate in a monodentate manner to the CoII cation, completing the slightly distorted octa­hedral geometry. In the two independent anionic ligands, the carboxyl­ate groups are twisted away from the attached benzene rings by 51.38 (18) and 39.89 (11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09 (10)°. Intra­molecular O—H⋯O hydrogen bonds between coordinating water mol­ecules and adjacent carboxyl­ate O atoms help to stabilize the mol­ecular structure. In the crystal, weak C—H⋯O hydrogen bonds link the polymeric chains into a three-dimentional supra­molecular network.
doi:10.1107/S1600536812015115
PMCID: PMC3344342  PMID: 22590108
24.  Diaqua­bis­(2-iodo­benzoato-κO)bis­(nicotinamide-κN 1)cobalt(II) 
In the title complex, [Co(C7H4IO2)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two monodentate 2-iodo­benzoate (IB) anions, two nicotin­amide (NA) ligands and two water mol­ecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octa­hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl­ate group and the adjacent benzene ring is 22.3 (3)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 84.59 (13)°. Intra­molecular O—H⋯O hydrogen bonding occurs between the carboxyl­ate group and coordinated water mol­ecule. In the crystal, N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional supra­molecular network.
doi:10.1107/S160053681201330X
PMCID: PMC3343903  PMID: 22589871
25.  Tetra­kis(μ-2-iodo­benzoato-κ2 O:O′)bis­[aqua­copper(II)] 
In the centrosymmetric binuclear title complex, [Cu2(C7H4IO2)4(H2O)2], the two CuII ions [Cu⋯Cu = 2.6009 (5) Å] are bridged by four 2-iodo­benzoate (IB) ligands. The four nearest O atoms around each CuII ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the O atom of the water mol­ecule at a distance of 2.1525 (16) Å. The dihedral angle between the benzene ring and the carboxyl­ate group is 25.67 (13)° in one of the independent IB ligands and 6.44 (11)° in the other. The benzene rings of the two independent IB ligands are oriented at a dihedral angle of 86.61 (7)°. In the crystal, O—H⋯O inter­actions link the mol­ecules into a two-dimensional network. π–π contacts between the benzene rings [centroid–centroid distances = 3.810 (2) and 3.838 (2) Å] may further stabilize the structure.
doi:10.1107/S1600536812010367
PMCID: PMC3343818  PMID: 22589792

Results 1-25 (98)