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1.  Poly[di-μ9-citrato-tetra­sodiumzinc] 
In the title compound, [Na4Zn(C6H5O7)2]n, the ZnII ion lies on an inversion center and is coordinated by six O atoms from two citrate ligands, forming a distorted octa­hedral geometry. There are two crystallographically independent Na+ cations in the asymmetric unit. One Na+ cation exhibits a distorted square-pyramidal geometry defined by five O atoms from four citrate ligands. The other Na+ cation is surrounded by six O atoms from five citrate ligands in a distorted octa­hedral geometry. The Na+ cations are bridged by citrate carboxyl­ate groups, forming a layer parallel to (100). The layers are further assembled into a three-dimensional network with the [Zn(citrate)2]4− building units as ‘pillars’; O—H⋯O hydrogen bonds also stabilize the structure.
doi:10.1107/S1600536813030067
PMCID: PMC3885003  PMID: 24454178
2.  Diaqua­bis­{5-carb­oxy-2-[(1H-1,2,4-triazol-1-yl)meth­yl]-1H-imidazole-4-carboxyl­ato}zinc 
In the title compound, [Zn(C8H6N5O4)2(H2O)2], the six-coordinate ZnII ion, which is located on an inversion center, has a distorted octa­hedral configuration. Each 5-carb­oxy-2-[(1H-1,2,4-triazol-1-yl)meth­yl]-1H-imidazole-4-carboxyl­ate ligand chelates to the ZnII ion through a triazole N atom and a carboxyl­ate O atom in the equatorial plane. The coordination sphere is completed by two water mol­ecules in axial positions. There is an intra­molecular O—H⋯O hydrogen bond in the ligand. In the crystal, mol­ecules are linked via inter­molecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds, forming a three-dimensional structure.
doi:10.1107/S160053681104387X
PMCID: PMC3238584  PMID: 22199475
3.  (4-Carb­oxy-2-sulfonato­benzoato-κ2 O 1,O 2)bis­(1,10-phenanthroline-κ2 N,N′)manganese(II) 
In the title complex, [Mn(C8H4O7S)(C12H8N2)2], the MnII atom is chelated by one 4-carb­oxy-2-sulfonato­benzoate anion and two phenathroline (phen) ligands in a distorted octa­hedral MnN4O2 geometry. The benzene ring of the 4-carb­oxy-2-sulfonato­benzoate anion is twisted with respect to the two phen ring systems at dihedral angles of 66.38 (9) and 53.56 (9)°. In the crystal, inter­molecular O—H⋯O and C—H⋯O hydrogen bonding links the mol­ecules into chains running parallel to [100]. Inter­molecular π–π stacking is also observed between parallel phen ring systems, the face-to-face distance being 3.432 (6) Å.
doi:10.1107/S1600536810023743
PMCID: PMC3006856  PMID: 21587760
4.  (Quinoline-2-carboxyl­ato-κO)(quinoline-2-carb­oxy­lic acid-κO)bis­(quinoline-2-carb­oxy­lic acid-κ2 N,O)potassium 
The K atom in the title complex, [K(C10H6NO2)(C10H7NO2)3], lies on a twofold rotation axis that relates one N,O-chelating quinoline-2-carb­oxy­lic acid to the other; their N and O atoms are cis to each other in the distorted octa­hedral coordination geometry. The K atom is also coordinated by another monodentate quinoline-2-carb­oxy­lic acid; the acid is disordered with respect to a monodentate quinoline-2-carboxyl­ate anion; the acid and anion are linked by an O—H⋯O hydrogen bond. An O—H⋯N hydrogen bond links adjacent mol­ecules into a linear chain structure along the a axis.
doi:10.1107/S1600536810027510
PMCID: PMC3007487  PMID: 21588178
5.  (1H-Benzimidazole-5-carb­oxy­lic acid-κN 3)(1H-benzimidazole-6-carb­oxy­lic acid-κN 3)silver(I) perchlorate 
The reaction of 1H-benzimidazole-5-carb­oxy­lic acid with silver nitrate in the presence of perchloric acid under hydro­thermal conditions yielded the title complex, [Ag(C8H6N2O2)2]ClO4, which comprises of an [Ag(C8H6N2O2)2] mononuclear cation and a perchlorate anion. The AgI ion is coordinated by two N atoms from two different neutral 1H-benzimidazole-5-carb­oxy­lic acid ligands with an N—Ag—N bond angle of 163.21 (14)°, forming an [Ag(C8H6N2O2)2] mononuclear cation. Although both ligands in the mononuclear cation are monodentate with one N atom coordinated to the metal ion, they are different: one is N3 coordinated to the Ag I ion and the N1 atom protonated, the other with the N1 coordinated to the Ag I ion and the N3 atom protonated (and thus formally a 1H-benzimidazole-6-carb­oxy­lic acid rather than a 1H-benzimidazole-5-carb­oxy­lic acid ligand). The planes of the two planar ligands are roughly perpendicular, making a dihedral angle of 84.97 (2)°. The packing of the ions is stablized by extensive O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds, and by remote Ag⋯O inter­actions [3.002 (3), 3.581 (5) and 3.674 (5) Å].
doi:10.1107/S1600536811010427
PMCID: PMC3099977  PMID: 21754004
6.  Bis[μ-4-(4-carb­oxy­phen­oxy)phthalato]bis­[triaqua­cobalt(II)] 
The dinuclear title complex, [Co2(C15H8O7)2(H2O)6], lies across an inversion center. The unique CoII ion is coordinated in a slightly distorted octa­hedral coordination geometry by two O atoms from a chelating 4-(carb­oxy­phen­oxy)phthalate ligand, three water O atoms and a further O atom from a bridging carboxyl­ate group of a symmetry-related 4-(carb­oxy­phen­oxy)phthalate ligand. In the crystal, O—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional network.
doi:10.1107/S1600536813000536
PMCID: PMC3569198  PMID: 23424399
7.  catena-Poly[[(pyrimidine-2-carb­oxy­lic acid)iron(II)]-μ-oxalato] 
In the title complex, [Fe(C2O4)(C5H4N2O4)]n, the FeII ion is coordinated by two oxalate anions and a pyrimidine-2-carb­oxy­lic acid ligand in a slightly distorted octa­hedral geometry. Each oxalate anion chelates to two FeII ions, forming chains along the a axis. The chains are further connected by O—H⋯O and C—H⋯O hydrogen bonds, stabilizing the structure. An intra­molecular O—H⋯N inter­action results in a five-membered ring.
doi:10.1107/S1600536810030023
PMCID: PMC3008040  PMID: 21588484
8.  (3-Carb­oxy-5-sulfonatobenzoato-κ2 O 1,O 1′)bis­[2-(2-pyrid­yl)-1H-benzimidazole-κ2 N 2,N 3]zinc(II) monohydrate 
In the title compound, [Zn(C8H4O7S)(C12H9N3)2]·H2O, the ZnII atom has a distorted octa­hedral coordination geometry, defined by four N atoms from two 2-(2-pyrid­yl)-1H-benzimidazole ligands and two O atoms from a deprotonated carboxyl­ate group of the 3-carb­oxy-5-sulfonatobenzoate ligand. In the crystal structure, the complex mol­ecules are linked into a three-dimensional network by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds, and π–π stacking inter­actions with centroid–centroid separations of 3.758 (2) and 3.597 (1) Å.
doi:10.1107/S1600536809009180
PMCID: PMC2968999  PMID: 21582356
9.  Diaqua­bis­(5-carb­oxy-2-ethyl-1H-imidazole-5-carboxyl­ato-κ2 N 3,O 4)zinc trihydrate 
In the crystal structure of the title compound, [Zn(C7H7N2O4)2(H2O)2]·3H2O, the ZnII ion, located an inversion center, is N,O-chelated by two 5-carb­oxy-2-ethyl-1H-imidazole-4-carboxyl­ate anions and further coordinated by two water mol­ecules in a distorted octa­hedral geometry. The carb­oxy group links with the carboxyl­ate group of the same ligand via an intra­molecular O—H⋯O hydrogen bond. An extensive inter­molecular N—H⋯O and O—H⋯O hydrogen-bonded network exists in the crystal structure. One disordered lattice water mol­ecule is half-occupied and is located close to an inversion center.
doi:10.1107/S160053681101676X
PMCID: PMC3120609  PMID: 21754616
10.  catena-Poly[[bis­(p-toluene­sulfonato-κO)palladium(II)]bis­(μ-1,3-di-4-pyridylpropane-κ2 N:N′)] 
In the title compound, [Pd(C7H7O3S)2(C13H14N2)2]n, the metal ion, located on a twofold rotation axis, exhibits a slightly distorted octa­hedral coordination environment, with bond angles that deviate by at most 2.2° from an ideal geometry, completed by two O atoms from two deprotonated p-toluene­sulfonic acid ligands and four N atoms from four 1,3-di-4-pyridylpropane ligands. One of the sulfonate O atoms is disordered over two positions [ratio 0.70 (5):0.30 (5)].
doi:10.1107/S1600536809032760
PMCID: PMC2969940  PMID: 21577460
11.  3-Meth­oxy­carbonyl-1-methyl­pyrazinium tetra­chlorido(pyrazine-2-carboxyl­ato-κ2 N 1,O)stannate(IV) 
In the reaction of pyrazine-2-carb­oxy­lic acid and stannic chloride in methanol, one equivalent of the carb­oxy­lic acid is methyl­ated at the 4-amino site and is also esterified, yielding the title salt, (C7H9N2O2)[SnCl4(C5H3N2O2)]. The SnIV atom in the anion is N,O-chelated by a pyrazine-2-carboxyl­ate in a cis-SnNOCl4 octa­hedral geometry.
doi:10.1107/S1600536811001929
PMCID: PMC3051442  PMID: 21522893
12.  2-Meth­oxy­carbonyl­pyridinium tetra­chlorido(pyridine-2-carboxyl­ato-κ2 N,O)stannate(IV) 
In the reaction of pyridine-2-carb­oxy­lic acid and stannic chloride in methanol, one equivalent of the carb­oxy­lic acid is protonated at the amino site and is also esterified, yielding the title salt, (C7H8NO2)[SnCl4(C6H4NO2)]. The SnIV atom in the anion is N,O-chelated by a pyridine-2-carboxyl­ate in a cis-SnNOCl4 octa­hedral geometry. The cation is linked to the anion by an N—H⋯O hydrogen bond.
doi:10.1107/S1600536811001930
PMCID: PMC3051751  PMID: 21522894
13.  Diaqua­bis­(5-carb­oxy-2-propyl-1H-imidazole-4-carboxyl­ato-κ2 N 3,O 4)nickel(II) tetra­hydrate 
In the title complex, [Ni(C8H9N2O4)2(H2O)2]·4H2O, the NiII ion is coordinated in a slightly distorted octa­hedral environment formed by two bis-chelating H2pimda (H3pimda is 2-propyl-1H-4,5-dicarb­oxy­lic acid) ligands and two coordinated water mol­ecules. In the crystal structure, a three-dimensional framework is formed by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds involving the solvent water mol­ecules, coordinated water mol­ecules, carboxyl­ate O atoms and the protonated N atoms of the H2pimda ligands. The propyl groups of each H2pimda ligand are disordered over two sets of sites with refined occupancies of 0.50 (2):0.50 (2) and 0.762 (11):0.238 (11). In one water solvent mol­ecule, one of the H atoms was refined as disordered over two sites of equal occupancy.
doi:10.1107/S1600536810025237
PMCID: PMC3007488  PMID: 21588141
14.  Diaqua­bis­(4-carb­oxy-2-ethyl-1H-imidazole-5-carboxyl­ato-κ2 N 3,O 4)zinc N,N-dimethyl­formamide disolvate 
In the title compound, [Zn(C7H7N2O4)2(H2O)2]·2C3H7NO, the ZnII ion, which lies on a center of inversion, is coordinated by two O atoms and two N atoms from two 4-carboxy-2-ethyl-1H-imid­azole-5-carboxyl­ato anions and two water O atoms in an octa­hedral environment, Each 4-carboxy-2-ethyl-1H-imid­azole-5-carboxyl­ato ligand adopts a bidentate chelating mode to the ZnII ion, forming two five-membered metalla rings. In the crystal, a two-dimensional framework parallel to (010) is formed by N—H⋯O and O—H⋯O hydrogen bonds.
doi:10.1107/S1600536811012992
PMCID: PMC3089267  PMID: 21754307
15.  Bis[4-amino-3,5-bis­(pyridin-2-yl)-4H-1,2,4-triazole-κ2 N 2,N 3]bis­(benzene-1,2-dicarb­oxy­lic acid-κO)copper(II) bis­(2-carb­oxy­benzoate) 
In the complex cation of the title salt, [Cu(C12H10N6)2(C8H6O4)2](C8H5O4)2, the CuII atom, lying on an inversion center, exhibits a distorted octa­hedral geometry defined by four N atoms from two 4-amino-3,5-bis­(pyridin-2-yl)-4H-1,2,4-triazole ligands in the equatorial plane and two axial O atoms from two benzene-1,2-dicarb­oxy­lic acid ligands. In the crystal, the complex cations and the monodeprotonated 2-carb­oxy­benzoate anions are connected by O—H⋯O and N—H⋯O hydrogen bonds, forming a tape along [100]. Adjacent tapes are further linked into a three-dimensional arrangement via π–π stacking inter­actions between the triazole and benzene rings and between the pyridine and benzene rings [centroid–centroid distances = 3.6734 (14)/3.9430 (16) and 3.8221 (14) Å]. Intra­molecular N—H⋯N and O—H⋯O hydrogen bonds are also observed.
doi:10.1107/S1600536812000128
PMCID: PMC3274868  PMID: 22346815
16.  Tetra­aqua­bis­[1-(3-carb­oxy­phen­yl)-4,4′-bipyridin-1-ium-κN 1′]zinc bis­(4,5-carb­oxy­benzene-1,2-dicarboxyl­ate) 2.5-hydrate 
In the complex cation of the title compound, [Zn(C17H13N2O2)2(H2O)4](C10H4O8)2·2.5H2O, the ZnII atom, lying on an inversion center, is coordinated by two N atoms from two N-(3-carb­oxy­phen­yl)-4,4′-bipyridin-1-ium ligands and four water mol­ecules in a distorted octa­hedral geometry. The pyromellitate anion is double deprotonated. O—H⋯O and C—H⋯O hydrogen bonds connect the cations, anions and uncoordinated water mol­ecules into a three-dimensional supra­molecular network. One of the two lattice water molecules shows an occupancy of 0.25. An intra­molecular O—H⋯O hydrogen bond is present in the anion.
doi:10.1107/S1600536811045156
PMCID: PMC3238626  PMID: 22199517
17.  Poly[[diaqua­bis­{μ-4-[6-(4-carb­oxy­phen­yl)-4,4′-bipyridin-2-yl]benzoato-κ2 O:N 1′}copper(II)] dimethyl­formamide tetra­solvate] 
In the title compound, {[Cu(C24H15N2O4)2(H2O)2]·4C3H7NO}n, the CuII ion, lying on an inversion center, is six-coordinated by two N atoms from two 4-[6-(4-carb­oxy­phen­yl)-4,4′-bipyridin-2-yl]benzoate (L) ligands, two deprotonated carboxyl­ate O atoms from two other symmetry-related L ligands and two water mol­ecules in a slightly distorted octa­hedral geometry. The CuII atoms are linked by the bridging ligands into a layer parallel to (101). The presence of intra­layer O—H⋯O hydrogen bonds and π–π inter­actions between the pyridine and benzene rings [centroid–centroid distances = 3.808 (2) and 3.927 (2) Å] stabilizes the layer. Further O—H⋯O hydrogen bonds link the layers and the dimethyl­formamide solvent mol­ecules.
doi:10.1107/S1600536813006430
PMCID: PMC3629482  PMID: 23634000
18.  Aqua­[2-(3-carb­oxy-5-carboxyl­atophen­oxy)acetato-κO 1]bis­(1,10-phenanthroline-κ2 N,N′)manganese(II) dihydrate 
In the title complex, [Mn(C10H6O7)(C12H8N2)2(H2O)]·2H2O, the MnII atom is coordinated by two O atoms from one 2-(3-carb­oxy-5-carboxyl­atophen­oxy)acetate (HOABDC2−) dianion and one water mol­ecule and by four N atoms from two 1,10-phenanthroline (phen) ligands within a distorted octa­hedral geometry. O—H⋯O hydrogen bonding between –COOH and –COO− groups of adjacent mol­ecules and between carboxyl­ate groups and coordinated and uncoordin­ated water mol­ecules leads to a three-dimensional structure which is further stabilized by weak π–π inter­actions of adjacent phen ligands with centroid–centroid separations of 4.2932 (1) Å.
doi:10.1107/S1600536810048142
PMCID: PMC3011514  PMID: 21589312
19.  catena-Poly[[[cis-aqua­dibromido­cobalt(II)]-μ-(pyrazine-2-carb­oxy­lic acid)-κ3 N 1,O:N 4] monohydrate] 
The title compound, {[CoBr2(C5H4N2O2)(H2O)]·H2O}n, is a one-dimensional coordination polymer which crystallizes as a monohydrate. The asymmetric unit contains one CoII atom in a distorted octa­hedral geometry, forming a chain parallel to [010] with the pyrazine carb­oxy­lic acid ligands coordinating on one side in a bidentate fashion through one N and one O atom, and in a monodentate fashion through a N atom, with N atoms trans, and with both ligands lying in the same plane. The bromide atoms are cis to each other, while a water mol­ecule occupies the final octa­hedral coordination site. The chains are linked together though an O—H⋯Br hydrogen bonding network, and are further stabilized by an O—H⋯Br and O—H⋯O hydrogen-bonding framework with the solvent water mol­ecule.
doi:10.1107/S1600536811048628
PMCID: PMC3238706  PMID: 22199583
20.  {μ-6,6′-Dimeth­oxy-2,2′-[propane-1,3-diylbis(nitrilo­methanylyl­idene)]di­phenolato}dimethano­ltrinitrato­samarium(III)zinc(II) methanol disolvate 
In the title complex, [SmZn(C19H20N2O4)(NO3)3(CH3OH)2]·2CH3OH, the ZnII ion is six-coordinated by two O atoms and two N atoms of the deprotonated Schiff base ligand and by two O atoms from methanol mol­ecules, forming a slightly distorted octa­hedral geometry. The SmIII ion is coordinated by six O atoms from three chelating nitrate ligands and four O atoms from the Schiff base ligand, forming a distorted bicapped square-anti­prismatic environment. In the crystal, inter­molecular O—H⋯O hydrogen bonds connect the complex mol­ecules and the two methanol solvent mol­ecules, forming (10) sheets.
doi:10.1107/S1600536811007641
PMCID: PMC3089085  PMID: 21754267
21.  Poly[[[diaqua­sodium]-μ3-5-carb­oxy-2-ethyl-1H-imidazole-4-carboxyl­ato-κ4 N 3,O 4:O 5:O 5] monohydrate] 
In the title complex, {[Na(C7H7N2O4)(H2O)2]·H2O}n, the NaI atom exhibits a distorted octa­hedral geometry and is six-coordinated in an NO5 environment. The equatorial plane is defined by three O atoms and one N atom from two distinct 5-carb­oxy-2-ethyl-1H-imidazole-4-carboxyl­ate (H2EIDC) ligands and one coordinated water mol­ecule, and the apical sites are occupied by one carboxyl O atom from one H2EIDC ligand and one O atom from the other coordinated water mol­ecule. The NaI atoms are linked by H2EIDC ligands, generating an infinite double chain along the a axis. These chains are further connected via O—H⋯O and N—H⋯O hydrogen bonds into a three-dimensional supra­molecular network.
doi:10.1107/S1600536811002741
PMCID: PMC3051994  PMID: 21522236
22.  Bis[2-(2-pyridylmethyl­eneamino)benzene­sulfonato-κ3 N,N′,O]zinc(II) dihydrate 
In the title complex, [Zn(C12H9N2O3S)2]·2H2O, the ZnII ion lies on a crystallographic inversion center and is coordinated by four N atoms and two O atoms from two tridentate 2-(2-pyridylmethyl­eneamino)benzene­sulfonate ligands in a slightly distorted octa­hedral environment. In the crystal structure, the complex forms a two-dimensional network through inter­molecular O—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536808026342
PMCID: PMC2960510  PMID: 21201634
23.  Diaqua­bis­(5-carb­oxy-2-propyl-1H-imidazole-4-carboxyl­ato-κ2 N 3,O 4)zinc(II) 3.5-hydrate 
In the title complex, [Zn(C8H9N2O4)2(H2O)2]·3.5H2O, the ZnII ion is coordinated by two N,O-bidentate H2pimda ligands (H3pimda = 2-propyl-1H-imidazole-4,5-dicarb­oxy­lic acid) and two water mol­ecules in a distorted octa­hedral environment. In the crystal structure, extensive inter­molecular O—H⋯O and N—H⋯O hydrogen bonds stabilize the three-dimensional supra­molecular network. Intra­molecular O—H⋯O hydrogen bonds between the carboxyl groups are also observed. The propyl groups of the two H2pimda ligands are disordered each over two sites, with occupancy factors of 0.752 (5):0.248 (5) and 0.519 (7):0.481 (7). One of the water mol­ecules is half-occupied.
doi:10.1107/S1600536810031478
PMCID: PMC3008058  PMID: 21588509
24.  2,9-Dimethyl-1,10-phenanthrolin-1-ium (6-carb­oxy-4-hy­droxy­pyridine-2-carboxyl­ato-κ3 O 2,N,O 6)(4-hy­droxy­pyridine-2,6-dicarboxyl­ato-κ3 O 2,N,O 6)zincate(II) 2.35-hydrate: a proton-transfer compound 
In the title compound, (C14H13N2)[Zn(C7H3NO5)(C7H4NO5)]·2.35H2O, the ZnII atom is coordinated by two N atoms and four O atoms from the carboxyl­ate groups of the 4-hy­droxy­pyridine-2,6-dicarboxyl­ate and 6-carb­oxy-4-hy­droxy­pyridine-2-carboxyl­ate ligands, forming a distored octa­hedral geometry. In the anion, the two pyridine rings are inclined to one another by 87.75 (13)°. Two types of robust O—H⋯O hydrogen bond synthons, viz. R 2 2(16) and R 6 6(42), link the anions to form a two-dimensional network parallel to the bc plane. Furthermore, O—H⋯O, N—H⋯O, N—H⋯N and weak C—H⋯O hydrogen bonds connect the two dimensional networks, forming a three-dimensional structure. In the crystal, there are also C—H⋯π and π–π inter­actions [centroid–centroid distances of 3.5554 (18) and 3.7681 (18) Å], and C=O⋯π inter­actions [O⋯centroid distance = 3.117 (2) Å] present. One of the three crystal water molecules shows an occupancy of 0.35.
doi:10.1107/S1600536811052445
PMCID: PMC3254305  PMID: 22259335
25.  Bis[2-(2-pyridylmethyl­eneamino)benzene­sulfonato-κ3 N,N′,O]manganese(II) dihydrate 
The title complex, [Mn(C12H9N2O3S)2]·2H2O, is isotypic with the previously reported ZnII and CdII species. The complex was prepared by the reaction of the potassium salt of 2-(2-pyridylmethyl­eneamino)benzene­sulfonic acid with MnCl2·6H2O in methanol. The complex displays twofold symmetry, with the ligands coordinated in a tridentate meridional-like arrangement through pyridyl N, imine N, and sulfonate O atoms. The metal center has a strongly distorted octa­hedral coordination geometry. The uncoordin­ated water mol­ecules and the complexes participate in a hydrogen-bonding network, forming a two-dimensional structure parallel to the ab plane.
doi:10.1107/S1600536809030670
PMCID: PMC2969898  PMID: 21577415

Results 1-25 (430340)