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Poly[[aqua-{?4-2-[(carb-oxy-meth-yl)sulfan-yl]nicotinato-?(4) O:O':O'':O'''}copper(II)] trihydrate].

ABSTRACT: In the polymeric title complex, {[Cu(C8H5NO4S)(H2O)]·3H2O} n , the Cu(II) cation is coordinated by one water mol-ecule and four carboxyl-ate O atoms from four 2-[(carb-oxy-meth-yl)sulfan-yl]nicotinate anions in a distorted square-pyramidal geometry. The 2-[(carb-oxy-meth-yl)sulfan-yl]nicotinate anion bridges four Cu(II) cations, forming a two-dimensional polymeric complex parallel to the bc plane. In the crystal, O-H?O, O-H?N and O-H?S hydrogen bonds link the complex mol-ecules and lattice water mol-ecules into a three-dimensional supra-molecular architecture.

SUBMITTER: Li WQ

PROVIDER: S-EPMC3647809 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

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Poly[[aqua-{μ4-2-[(carb-oxy-meth-yl)sulfan-yl]nicotinato-κ(4) O:O':O'':O'''}copper(II)] trihydrate].

Li Wei-Qi WQ

Acta crystallographica. Section E, Structure reports online 20130413 Pt 5

In the polymeric title complex, {[Cu(C8H5NO4S)(H2O)]·3H2O} n , the Cu(II) cation is coordinated by one water mol-ecule and four carboxyl-ate O atoms from four 2-[(carb-oxy-meth-yl)sulfan-yl]nicotinate anions in a distorted square-pyramidal geometry. The 2-[(carb-oxy-meth-yl)sulfan-yl]nicotinate anion bridges four Cu(II) cations, forming a two-dimensional polymeric complex parallel to the bc plane. In the crystal, O-H⋯O, O-H⋯N and O-H⋯S hydrogen bonds link the complex mol-ecules and lattice water ...[more]

PMID: 23723775

Similar Datasets

Crystal structure of aqua-(2-{[2-({2-[bis-(carboxyl-ato-κO-meth-yl)amino-κN]eth-yl}(carboxyl-ato-κO-meth-yl)amino-κN)eth-yl](carb-oxy-meth-yl)aza-niumyl}acetato)-gallium(III) trihydrate.

Project description:In the title GaIII complex compound with pentetic acid, [Ga(C14H20N3O10)(H2O)]·3H2O, the GaIII centre is bound in a slightly distorted octa-hedral coordination sphere by two amine N atoms, three carboxyl-ate O atoms and one water O atom. The complex mol-ecule exists as a zwitterion. In the crystal, the complexes are linked to each other via O-H⋯O and C-H⋯O hydrogen bonds, forming layers parallel to (001). Three uncoordinating water mol-ecules link the complex layers via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.

| S-EPMC6073008 | biostudies-literature

Poly[[diaqua-tris(?2-4,4'-bi-pyridine)-bis[?2-2-(carb-oxylato-methyl-sulfan-yl)nicotinato]dicobalt(II)] 1.3-hydrate].

Project description:The title complex, [Co2(C8H5NO4S)2(C10H8N2)3(H2O)2]·1.3H2O, was synthesized under hydro-thermal conditions. The Co(II) ion is six-coordinated in a slightly distorted octa-hedral environment resulting from two carboxyl-ate O atoms of two 2-carb-oxy-methyl-sulfanyl nicotinate (2-CMSN(2-)) anions, one water mol-ecule and three N atoms of three 4,4'-bi-pyridine ligands, with one 4,4'-bi-pyridine ligand situated on a centre of inversion. Two neighboring Co(II) ions are linked by two anions, giving a dinuclear [Co2(2-CMSN)2] subunit with a Co?Co separation of 6.8600?(3)?Å. The dinuclear subunits are joined by bridging 4,4'-bi-pyridine linkers, generating a three-dimensional network structure. Disordered water mol-ecules are situated in the free space of this network. O-H?O hydrogen bonding within and between the subunits enhances the stability of the structure.

| S-EPMC3772411 | biostudies-literature

2-[(Meth-oxy-carbonothio-yl)sulfan-yl]acetic acid.

Project description:The title compound, C(4)H(6)O(3)S(2), features a characteristic xanthate group; the C=S double bond is shorter than the C-S single bond, and the methyl group is coplanar with the xanthate group. In the crystal pairs of mol-ecules form dimers through inter-molecular O-H⋯O hydrogen bonding.

| S-EPMC3051980 | biostudies-literature

4,4'-Bipyridine-2-(carb-oxy-methyl-sulfan-yl)pyridine-3-carb-oxy-lic acid (1/1).

Project description:In the title co-crystal, C(10)H(8)N(2)·C(8)H(7)NO(4)S, the formate group is coplanar with the pyridyl ring of the acid [dihedral angle = 6.2?(7)°], while the carb-oxy-methyl-sulfanyl group makes a C-S-C-C torsion angle of 70.2?(1)° with the pyridine ring. The dihedral angle between the pyridyl rings of the 4,4'-bipyridine mol-ecule is 27.4?(1)°. The acid and the 4,4'-bipyridine mol-ecules are involved in hydrogen bonding via carb-oxy-lic O and pyridyl N atoms. The structure is further consolidated by inter-molecular C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3011421 | biostudies-literature

2-[4-(Carb-oxy-meth-yl)phen-oxy]acetic acid.

Project description:The title compound, C(10)H(10)O(5), was obtained by the reaction of 4-hy-droxy-phenyl-acetic acid with chloro-acetic acid. In the crystal, the mol-ecules form a three-dimensional network by way of inter-molecular O-H?O hydrogen bonding.

| S-EPMC3050335 | biostudies-literature

5-Carb-oxy-1,3-bis-(carb-oxy-meth-yl)-4-imidazolinium-4-carboxyl-ate.

Project description:The title compound, C(9)H(8)N(2)O(8), was obtained by the reaction of imidazole-4,5-dicarb-oxy-lic acid and 2-chloro-acetic acid. An intra-molecular O-H?O hydrogen bond occurs. The crystal packing is stabilized by intermolecular O-H?O and C-H?O hydrogen bonds, which link mol-ecules into a three-dimensional network.

| S-EPMC3254562 | biostudies-literature

1-Meth-oxy-4-({[(4-meth-oxy-phen-yl)-sulfan-yl](phen-yl)meth-yl}sulfan-yl)benzene.

Project description:The title compound, C(21)H(20)O(2)S(2), forms a propeller-shaped structure with the tetra-hedral C atom as the central hub and meth-oxy-benzene and phenyl residues as radiating blades. Short C-H?? contacts are observed.

| S-EPMC3297852 | biostudies-other

[1-(Carb-oxy-meth-yl)cyclo-hex-yl]methanaminium nitrate.

Project description:The title compound, C(9)H(18)NO(2) (+)·NO(3) (-), is an anhydrous nitrate salt of gabapentin, which is formed serendipitously in the presence of selected non-coordinating metals. The crystal structure involves extensive hydrogen bonding between the -NH(3) (+) and -COOH groups and the nitrate anion.

| S-EPMC3051645 | biostudies-literature

Tetra-aqua-bis-{3-carb-oxy-5-[(4-carb-oxy-phen-yl)diazen-yl]benzoato-?O}cobalt(II) dihydrate.

Project description:In the title complex, [Co(C(15)H(9)N(2)O(6))(2)(H(2)O)(4)]·2H(2)O, the Co(II) ion is located on an inversion center and is coordinated by two monodentate 3-carb-oxy-5-[(4-carb-oxy-phen-yl)diazen-yl]benzo-ate ligands and four water mol-ecules in a distorted octa-hedral geometry. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3238615 | biostudies-literature

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

Project description:In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

| S-EPMC4555440 | biostudies-literature

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