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1.  [1H-1,2,4-Triazole-5(4H)-thione-κS]bis­(tri­phenyl­phosphane-κP)(nitrato-κO)silver(I) methanol monosolvate 
In the title complex, [Ag(NO3)(C2H3N3S)(C18H15P)2]·CH3OH, the AgI ion exhibits a distorted tetra­hedral coordination geometry formed by two P atoms from two tri­phenyl­phosphine ligands, one S atom from a 1H-1,2,4-triazole-5(4H)-thione ligand and one O atom from a nitrate ion. In the crystal, complex and solvent mol­ecules are linked by O—H⋯O and N—H⋯O hydrogen bonds forming a chain along the b-axis direction. The chains are linked by weak C—H⋯O hydrogen bonds forming a two-dimensional supra­molecular architecture parallel to (001). In addition, an intra­molecular N—H⋯O hydrogen bond is observed.
doi:10.1107/S1600536814001196
PMCID: PMC3998265  PMID: 24764826
2.  catena-Poly[[dichloridozinc(II)]-μ-[1,1′-(butane-1,4-di­yl)diimidazole-κ2 N 3:N 3′]] 
The title one-dimensional coordination polymer, [ZnCl2(C10H14N4)]n, was synthesized by hydro­thermal methods from ZnCl2 and 1,1′-(butane-1,4-di­yl)diimidazole. The Zn atom is coordinated by two chloride ions and two N atoms from two symmetry-independent organic ligands and shows a distorted tetra­hedral coordination geometry. The 1,1′-(butane-1,4-di­yl)diimidazole ligands are located around two sets of inversion centers and bridge ZnII ions, forming a zigzag polymeric chain. C—H⋯Cl hydrogen bonding results in the formation of a three-dimensional supra­molecular network
doi:10.1107/S1600536810046611
PMCID: PMC3011725  PMID: 21589265
3.  Dichlorido[(1R,2R)-N-(pyridin-2-yl­methyl)cyclo­hexane-1,2-diamine-κ3 N,N′,N′′]mercury(II) 
In the title compound, [HgCl2(C12H19N3)], the HgII ion is coordinated by three N atoms of the (1R,2R)-N-(pyridin-2-ylmeth­yl)cyclo­hexane-1,2-diamine ligand and by a Cl atom in the basal plane, and by a second Cl atom in the apical position, within a distorted square-pyramidal geometry. The coordination of the enanti­opure ligand to the metal atom renders the central N atom chiral with an S configuration, so the complex is enanti­omerically pure and corresponds to the S,R,R diastereoisomer. Mol­ecules are linked via weak N—H⋯Cl hydrogen bonds into a one-dimensional hydrogen-bonding supramolecular chain along the crystallographic b axis.
doi:10.1107/S1600536812003340
PMCID: PMC3297209  PMID: 22412399
4.  Bis{1-[(benzo­yloxy)meth­yl]-1H-1,2,3-benzotriazole-κN 3}(nitrato-κ2 O,O′)­silver(I) 
In the crystal structure of the title coordination compound, [Ag(NO3)(C14H11N3O2)2], the AgI atom is four-coordinated in a distorted tetra­hedral geometry by two O atoms from one nitrate group and two N atoms from two different 1-[(benzo­yloxy)meth­yl]-1H-1,2,3-triazole ligands. In the complex, the two coordinated benzotriazole rings rings are nearly perpendicular, the dihedral angle between their planes being 87.08 (6)°.
doi:10.1107/S1600536812006368
PMCID: PMC3343790  PMID: 22589764
5.  (Nitrato-κ2 O,O′)bis­[(E)-N-(pyridin-4-yl­methyl­idene-κN)hy­droxy­amine]­silver(I) 
In the mononuclear title compound, [Ag(NO3)(C6H6N2O)2], the AgI atom is located on a twofold rotation axis and the nitrate-chelated AgI atom is further coordinated by two aromatic N atoms of hydroxyl­amine ligands in a distorted tetra­hedral geometry. In the crystal, the nitrate ion has 2 symmetry with the N atom and one O atom located on the twofold rotation axis, and is linked to hy­droxy groups of the hydroxyl­amine ligands by O—H⋯O hydrogen bonds, generating a chain running along the b axis.
doi:10.1107/S1600536812046107
PMCID: PMC3588783  PMID: 23468748
6.  catena-Poly[[(nitrato-κ2 O,O′)silver(I)]-μ-1,2-bis­(diphenyl­phosphino)ethane-κ2 P:P′] 
In the title chain compound, [Ag(NO3)(C26H24P2)]n, the bis­(diphenyl­phosphino)ethane (dppe) units link the Ag+ ions into chains along [001]. A nitrate anion is coordinated to the Ag atom. There is a centre of symmetry at the mid-point of the ethane C—C bond and a twofold rotation axis passes through the Ag, N and terminal O atoms. Each Ag atom is four-coordinated in a distorted tetra­hedral geometry by two O atoms of the nitrate anion and two P atoms of dppe ligands. The two aromatic rings are oriented at a dihedral angle of 73.77 (3)°.
doi:10.1107/S1600536808019442
PMCID: PMC2961910  PMID: 21203079
7.  cis-(Nitrato-κ2 O,O′)(2,5,5,7,9,12,12,14-octa­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N,N′,N′′,N′′′)cadmium nitrate hemihydrate 
The CdII atom in the title complex, [Cd(NO3)(C18H40N4)]NO3·0.5H2O, is coordinated within a cis-N4O2 donor set provided by the tetra­dentate macrocyclic ligand and two O atoms of a nitrate anion; the coordination geometry is distorted octa­hedral. The lattice water mol­ecule is located on a twofold rotation axis. N—H⋯O hydrogen bonds and weak C—H⋯O inter­actions link the complex cations into a supra­molecular layer in the bc plane. Layers are connected by O—H⋯O hydrogen bonds between the lattice water mol­ecule and the non-coordinating nitrate anion, as well as by weak C—H⋯O contacts.
doi:10.1107/S160053681201238X
PMCID: PMC3343882  PMID: 22589850
8.  Poly[[μ2-2,2′-diethyl-1,1′-(butane-1,4-di­yl)diimidazole-κ2 N 3:N 3′](μ2-5-hydroxy­isophthalato-κ2 O 1:O 3)zinc] 
In the title coordination polymer, [Zn(C8H4O5)(C14H22N4)]n, the ZnII cation is coordinated by an O2N2 donor set in a distorted tetra­hedral geometry. The ZnII ions are linked by μ2-OH-bdc (OH-H2bdc = 5-hy­droxy­isophthalic acid) and bbie ligands [bbie = 2,2′-diethyl-1,1′-(butane-1,4-di­yl)diimidazole], forming a two-dimensional layer parallel to the ab plane. The layers are further connected through intermolecular C—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional supramolecular structure. In the bbie ligand, the two C atoms in the ethyl group are each disordered over two positions with a site-occupancy ratio of 0.69:0.31.
doi:10.1107/S1600536811039377
PMCID: PMC3246914  PMID: 22219734
9.  catena-Poly[[bis­(nitrato-κ2 O,O′)zinc(II)]-μ-4,4′-bis­(pyrazol-1-ylmeth­yl)biphenyl-κ2 N 2:N 2′] 
In the title compound, [Zn(NO3)2(C20H18N4)]n, the ZnII atom lies on a crystallographic twofold axis and the coordination geometry can be considered as a slightly distorted tetra­hedron defined by two O atoms from two nitrate groups and two N atoms from two ligand mol­ecules. A distorted octa­hedron may be assumed when two of the symmetry-related nitrate O atoms, with Zn—O distances of 2.528 (2) Å, are added to the coordination environment. Another twofold axis, passing through the middle of the biphenyl bonds, is observed in the crystal structure. A chain along [101] is built up by the ligands linking the ZnII ions.
doi:10.1107/S1600536810018738
PMCID: PMC2979629  PMID: 21579335
10.  Aqua­(4,4′-dimethyl-2,2′-bipyridine-κ2 N,N′)(nitrato-κO)(nitrato-κ2 O,O′)zinc 
In the title compound, [Zn(NO3)2(C12H12N2)(H2O)], the ZnII atom is six-coordinated in a distorted octa­hedral geometry by two N atoms from a chelating 4,4′-dimethyl-2,2′-bipyridine ligand, one water O atom, one O atom from a monodentate nitrate anion and two O atoms from a chelating nitrate anion. In the crystal, there are aromatic π–π contacts between the pyridine rings [centroid–centroid distances = 3.9577 (13) Å] and inter­molecular O—H⋯O and C—H⋯O hydrogen bonds.
doi:10.1107/S1600536811050227
PMCID: PMC3238756  PMID: 22199633
11.  catena-Poly[[dichloridozinc(II)]-μ-1,1′-(hexane-1,6-di­yl)diimidazole-κ2 N 3:N 3′] 
In the structure of the polymeric title compound, [ZnCl2(C12H18N4)]n or [ZnCl2(L)]n, where L = 1,1′-(hexane-1,6-di­yl)diimidazole, the ZnII centre is coordinated by two N atoms of two different L ligands and by two chloride anions in a distorted tetra­hedral geometry. The organic ligand links adjacent metals to form a polymeric chain along the c axis. The chains are further connected into layers parallel to the bc plane by inter­molecular C—H⋯Cl hydrogen bonds. Two C atoms of the central hexyl chain are disordered over two positions with site-occupancy factors of 0.5.
doi:10.1107/S1600536809037696
PMCID: PMC2970280  PMID: 21577757
12.  Dichloridobis[2-(2-chloro­ethyl)-1,2,3,4-tetra­hydro­pyrazino[1,2-a]benzimidazole-κN]cobalt(II) 
In the title compound, [CoCl2(C12H14ClN3)2], the central CoII ion lies on a twofold rotation axis and adopts a distorted tetra­hedral coordination geometry defined by two N atoms from two 2-(2-chloro­ethyl)-1,2,3,4-tetra­hydro­pyrazino[1,2-a]benzimidazole ligands and two chloride anions. The Cl atom located in the side chain of the ligand is involved in inter­molecular C—H⋯Cl hydrogen bonding, which links neutral complex units into a one-dimensional right-handed helical chain running along a crystallographic 41 axis. Such hydrogen-bonded helical chains are connected to each other to form a homochiral three-dimensional supra­molecular network. One C atom of the 2-chloro­ethyl chain is disordered over two positions, with site-occupancy factors of 0.52 and 0.48.
doi:10.1107/S1600536808018011
PMCID: PMC2961898  PMID: 21202795
13.  Bis(nitrato-κO)tetra­kis­[1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one]copper(II) 
In the title complex, [Cu(NO3)2(C11H11N3O)4], the CuII atom is situated on a centre of inversion and is coordinated by two O atoms from two nitrate anions and four N atoms from four monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted octa­hedral geometry. Weak inter­molecular C—H⋯O and C—H⋯N hydrogen bonds result in a supra­molecular layer parallel to (101). These layers are connected by π–π inter­actions between the benzene rings [centroid–centroid distance = 3.891 (2) Å].
doi:10.1107/S160053681103529X
PMCID: PMC3201555  PMID: 22064784
14.  catena-Poly[[zinc-bis­(μ-2-sulfido-1H-benzimidazol-3-ium-5-carboxyl­ato)-κ2 O:S;κ2 S:O] trihydrate] 
In the title compound, {[Zn(C8H5N2O2S)2]·3H2O}n, the ZnII atom, lying on a twofold rotation axis, is four-coordinated by two S atoms and two O atoms from four 2-sulfido-1H-benzimidazol-3-ium-5-carboxyl­ate (H2mbidc) ligands in a distorted tetra­hedral geometry. Two H2mbidc ligands bridge two ZnII atoms, generating a double-chain along [01]. Adjacent chains are linked by N—H⋯O and O—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular network. One of the two water molecules also lies on a twofold rotation axis.
doi:10.1107/S1600536811006532
PMCID: PMC3099766  PMID: 21753933
15.  Bis[(2-amino­phen­yl)methanol-κ2 N,O]bis­(nitrato-κO)zinc(II) 
In the title compound, [Zn(NO3)2(C7H9NO)2], the ZnII atom, lying on a twofold rotation axis, is six-coordinated in a distorted octa­hedral geometry by two N atoms and two O atoms from two (2-amino­phen­yl)methanol ligands and two O atoms from two monodentate nitrate anions. Inter­molecular N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds stabilize the crystal structure.
doi:10.1107/S1600536810030485
PMCID: PMC3007881  PMID: 21588482
16.  Bis(nitrato-κO)(5,7,12,14-tetra­methyl-1,4,8,11-tetra­aza­cyclo­tetra­decane-6,13-diaminium-κ4 N 1,N 4,N 8,N 11)copper(II) dinitrate tetra­hydrate 
In the title compound, [Cu(NO3)2(C14H36N6)](NO3)2·4H2O, the CuII atom, lying on an inversion center, is six-coordinated in a distorted octa­hedral environment by four N atoms from a centrosymmetric 14-membered tetra­aza­cyclo­tetra­decane macrocyclic ligand and two O atoms from two nitrate anions. The supra­molecular network is consolidated by extensive O—H⋯O and N—H⋯O hydrogen-bonding inter­actions.
doi:10.1107/S1600536810023342
PMCID: PMC3006849  PMID: 21587749
17.  (2,2′-Bipyridine-κ2 N,N′)bis­(4-chloro­benzoato-κO)zinc 
In the title compound, [Zn(C7H4ClO2)2(C10H8N2)], the ZnII atom is coordinated by two O atoms from two 4-chloro­benzoate ligands and two N atoms from a chelating 2,2′-bipyridine (bpy) mol­ecule in a distorted N2O2 tetra­hedral geometry. The ZnII atom is located on a twofold rotation axis, which also passes through the mid-point of the central C—C bond of the bpy ligand. In the crystal, weak C—H⋯O hydrogen bonds and π–π stacking inter­actions between the pyridine rings of the bpy ligands [centroid–centroid distance = 3.642 (3) Å] link the complex mol­ecules into a two-dimensional supra­molecular structure parallel to (100). An intra­molecular C—H⋯O hydrogen bond is also observed.
doi:10.1107/S160053681200699X
PMCID: PMC3297269  PMID: 22412459
18.  catena-Poly[[bis­(nitrato-κ2 O,O′)copper(II)]-μ-2,2′-(ethane-1,2-diyldithio)di-1,3,4-thia­diazole-κ2 N 4:N 4′] 
In the title compound, [Cu(NO3)2(C6H6N4S4)]n, the CuII atom, occupying a crystallographic inversion centre, is six-coordinated by two N atoms of two 2,2′-[1,2-ethane­diyl­bis­(thio)]bis­[1,3,4-thia­diazole] ligands in trans positions, and four O atoms from two symmetry-related opposite nitrate anions, which are asymmetrically bonded, resulting in a strong distorted octa­hedral geometry of the central atom. The ethane group is equally disordered over two sites via another inversion centre. The bridging bidentate 2,2′-[1,2-ethanediylbis(thio)]bis­[1,3,4-thia­diazole] ligands link the CuII centres into a one-dimensional chain. The chains are inter­connected via inter­molecular S⋯O inter­actions [3.044 (4) and 3.084 (5) Å] and weak C—H⋯O hydrogen bonds, generating a three-dimensional supra­molecular structure.
doi:10.1107/S1600536808041202
PMCID: PMC2967916  PMID: 21581546
19.  trans-Bis(nitrato-κO)bis­(1,10-phenanthroline-κ2 N,N′)manganese(II) 
In the title compound, [Mn(NO3)2(C12H8N2)2], the MnII atom lies on a twofold rotation axis, and is six-coordinated in a distorted trans-N4O2 octa­hedral environment by four N atoms from two 1,10-phenanthroline ligands and two O atoms from two nitrate anions. The nitrate anion is disordered about a twofold rotation axis with fixed occupancy factors of 0.5. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 4.088 (5) Å] into a three-dimensional supra­molecular network.
doi:10.1107/S1600536812029364
PMCID: PMC3414101  PMID: 22904708
20.  Poly[[[μ2-1,1′-(butane-1,4-di­yl)bis­(1H-imidazole)-κ2 N 3:N 3′](μ2-2,6-di­methyl­pyridine-3,5-dicarboxyl­ato-κ2 O 3:O 5)zinc] dihydrate] 
In the title coordination polymer, {[Zn(C9H7NO4)(C10H14N4)]·2H2O}n, the ZnII ion displays a distorted tetra­hedral geometry with two imidazole N atoms from two 1,1′-(butane-1,4-di­yl)bis­(imidazole) (bbi) ligands and two carboxyl­ate O atoms from two 2,6-dimethyl­pyridine-3,5-dicarboxyl­ate (dpdc) ligands. The bbi and dpdc ligands bridge the ZnII ions, forming layers parallel to (011). O—H⋯O and O—H⋯N hydrogen bonds and π–π inter­actions between the imidazole rings [centroid–centroid distance = 3.807 (5) Å] connect the layers. Two of the three uncoordinated water mol­ecules are disordered, each over two 0.25-occupancy positions.
doi:10.1107/S1600536811039481
PMCID: PMC3201321  PMID: 22058724
21.  Diaqua­bis{[1-hydr­oxy-2-(1H-imidazol-3-ium-1-yl)ethane-1,1-di­yl]bis­(hydrogen phospho­nato)}manganese(II) 
In the title compound, [Mn(C5H9N2O7P2)2(H2O)2], the MnII atom (site symmetry ) is coordinated by four phos­pho­n­ate O atoms from a pair of partially deprotonated 1-hydr­oxy-2-(imidazol-3-yl)ethane-1,1-bis­phophonic acid ligands (imhedpH3 −) and two water mol­ecules, resulting in a slightly distorted trans-MnO6 octa­hedral geometry for the metal ion. In the ligands, the imidazole units are protonated and two of the hydr­oxy O atoms of the phospho­nate groups are deprotonated and chelate the MnII, thus forming the neutral mol­ecule of the title compound. The two protonated O atoms within the phospho­nate groups of one imhedpH3 − ligand act as hydrogen-bond acceptors for a bifurcated hydrogen bond originating from the coordinated water mol­ecule. The phospho­nate units of neigboring mol­ecules are connected with their equivalents in neighboring mol­ecules via two types of inversion-symmetric hydrogen-bonding arrangements with four and two strong O—H⋯O hydrogen bonds, respectively. The two inter­actions connect mol­ecules into infinite chains along [111] and [110], in combination forming a tightly hydrogen-bonded three-dimensional supra­molecular network. This network is further stabilized by additional hydrogen bonds between the protonated imidazole units and one of the coordinated P—O O atoms and by additional O—H⋯O hydrogen bonds between the water mol­ecules and the P=O O atoms of neigboring mol­ecules.
doi:10.1107/S160053680905065X
PMCID: PMC2972148  PMID: 21578704
22.  Poly[aqua­(μ2-pyrimidine-2-carboxyl­ato-κ4 O,N:O′,N′)(nitrato-κO)cadmium] 
In the title polymer, [Cd(C5H3N2O2)(NO3)(H2O)]n, the CdII atom is seven-coordinate in a distorted capped octa­hedral geometry by two N atoms of two different pyrimidine dicarboxyl­ate (pmc) ligands, three O atoms from three separate pmc ligands, and two O atoms of disordered nitrate anions or water mol­ecules. The CdII atoms are bridged by the pmc ligands in a chelating/bridging bis-bidentate and chelating bidentate mode, forming sheets parallel to (20-1). The sheets are further linked into a three-dimensional supra­molecular network via classical O—H⋯O hydrogen bonds involving the nitrate anions and coordinating water mol­ecules. Intra­molecular O—H⋯O hydrogen bonding is also observed. The non-coordinating nitrate O atoms are disordered over two sets of sites with occupancies of 0.57 (7) and 0.43 (7).
doi:10.1107/S1600536812041645
PMCID: PMC3515109  PMID: 23284336
23.  Poly[tetra­aqua­bis­(μ3-benzene-1,3-di­carboxyl­ato-κ3 O:O′:O′′)bis­(μ2-benzene-1,3-dicarboxyl­ato-κ3 O,O′:O′′)[μ2-1,4-bis­(1,2,4-triazol-1-yl)butane-κ2 N:N′]tetra­zinc(II)] 
In the crystal structure of the title compound, [Zn4(C8H4O4)4(C8H12N6)(H2O)4]n, one ZnII atom is four-coordinated in a slightly distorted tetra­hedral geometry by two O atoms from benzene-1,3-dicarboxyl­ate (BDC) ligands, one N atom from a 1,4-bis­(1,2,4-triazol-1-yl)butane (BTB) ligand and one water mol­ecule, while a second ZnII atom is five-coordinated in a distorted square-pyramidal geometry bridged by four O atoms from BDC ligands and one water mol­ecule. The ZnII atoms are connected by the benzene-1,3-dicarboxyl­ate anions and the nitro­gen ligand into layers parallel to the ac plane. The asymmetric unit consits of two crystallographically independent ZnII cations, two BDC anions and two water mol­ecules in general positions, as well as one-half of the BTB ligand that is completed by inversion symmetry.
doi:10.1107/S1600536810051433
PMCID: PMC3050338  PMID: 21522591
24.  [3,3′-Dihy­droxy-3,3′-bis­(pyridin-3-yl-κN)-1,1′-(pyridine-2,6-di­yl)dipropan-1-one](nitrato-κ2 O,O′)silver(I) 
In the title compound, a new macrocyclic metal complex, [Ag(NO3)(C21H15N3O4)], all non-H atoms are in a close-to-planar geometry (except for the nitrate anion), with a maximum out-of-plane deviation of 0.327 (6) Å for a pyridine C atom. The dihedral angle between the least-squares plane through the [3,3′-dihy­droxy-3,3′-bis­(pyridin-3-yl)-1,1′-(pyridine-2,6-di­yl)dipropan-1-one]silver(I) fragment and the nitrate anion is 31.29 (13)°. The mol­ecular structure is stabilized by several inter- and intra­molecular O—H⋯O and C—H⋯O hydrogen bonds. The AgI atom is coordinated by two pyridine N atoms and two O atoms of the nitrate anion in a geometry intermediate between tetrahedral and square-planar.
doi:10.1107/S1600536811020472
PMCID: PMC3152099  PMID: 21836892
25.  catena-Poly[zinc(II)-μ3-{hydrogen [1-hydr­oxy-2-(3-pyridinio)ethane-1,1-di­yl]diphospho­nato}] 
In the polymeric title compound, [Zn(C7H9NO7P2)]n, the zinc(II) centre displays a tetra­hedral coordination geometry provided by four O atoms from three different phospho­nate groups. The crystal structure consists of ladder chains parallel to the b axis built up from vertex-sharing of ZnO4 and PO3C tetra­hedra. The chains are linked by strong intra- and inter­chain O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional supra­molecular assembly.
doi:10.1107/S1600536809052702
PMCID: PMC2980138  PMID: 21579955

Results 1-25 (569068)