Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Poly[[bis-(?-3-amino-5-carb-oxy-benzoato-?(2)N:O(1))diaqua-zinc] dihydrate].

ABSTRACT: The Zn(II) atom in the title polymeric compound, {[Zn(C(8)H(6)NO(4))(2)(H(2)O)(2)]·2H(2)O}(n), lies on a center of inversion and is coordinated by two amine N atoms and two carboxyl-ate O atoms from two 3-amino-5-carb-oxy-benzoate anions along with two water mol-ecules in a distorted octa-hedral geometry. The bridging nature of the anion generates a layer motif parallel to (100). Hydrogen bonds of the N-H?O and O-H?O types exist in the structure. One H atom of the coordinated water mol-ecule and one H atom of the solvent water mol-ecule are each disordered over two positions in a 1:1 ratio.

SUBMITTER: Zhang KL

PROVIDER: S-EPMC3414142 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Poly[[bis-(μ-3-amino-5-carb-oxy-benzoato-κ(2)N:O(1))diaqua-zinc] dihydrate].

Zhang Kou-Lin KL Qiu Ting-Ting TT Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120718 Pt 8

The Zn(II) atom in the title polymeric compound, {[Zn(C(8)H(6)NO(4))(2)(H(2)O)(2)]·2H(2)O}(n), lies on a center of inversion and is coordinated by two amine N atoms and two carboxyl-ate O atoms from two 3-amino-5-carb-oxy-benzoate anions along with two water mol-ecules in a distorted octa-hedral geometry. The bridging nature of the anion generates a layer motif parallel to (100). Hydrogen bonds of the N-H⋯O and O-H⋯O types exist in the structure. One H atom of the coordinated water mol-ecule and ...[more]

PMID: 22904749

Similar Datasets

Diaqua-bis-[4-(dimethyl-amino)-benzoato-?O]bis-(nicotinamide-?N)zinc(II) dihydrate.

Project description:In the centrosymmetric title structure, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) cation, located on an inversion center, is coordinated by two 4-(methyl-amino)-benzoate anions, two nicotinamide ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.09?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10?(4)°. The uncoordinated water mol-ecule is linked to nicotinamide ligands by O-H?O hydrogen bonds. In the crystal, inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak N-H?? inter-action also occurs.

| S-EPMC3011468 | biostudies-literature

catena-Poly[[[diaqua-bis[4-(diethyl-amino)benzoato-?O]manganese(II)]-?-aqua] dihydrate].

Project description:In the crystal structure of the title complex, {[Mn(C(11)H(14)NO(2))(2)(H(2)O)(3)]·2H(2)O}(n), the two independent Mn(II) atoms are located on a centre of symmetry and coordinated by two 4-(diethyl-amino)benzoate (DEAB) anions and two water mol-ecules in the basal plane while another water mol-ecule bridges the Mn atoms in the apical directions, forming polymeric chains. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.33?(13) and 10.90?(9)° and the benzene rings are oriented at a dihedral angle of 67.88?(6)°. The uncoordinated water mol-ecules link the carboxyl-ate groups and coordinated water mol-ecules via O-H?O hydrogen bonding. Weak C-H?? inter-actions are also found in the crystal structure.

| S-EPMC2969307 | biostudies-literature

Diaqua-bis-(4-meth-oxy-benzoato-?O)bis-(nicotinamide-?N)nickel(II) dihydrate.

Project description:In the mononuclear title compound, [Ni(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Ni(II) ion is located on a crystallographic inversion center. The asymmetric unit further contains one 4-meth-oxy-benzoate anion, one nicotinamide (NA) ligand and one coordinated and one uncoordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around the Ni(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 7.2?(1)°, while the pyridine and benzene rings are oriented at a dihedral angle of 72.80?(4)°. An intra-molecular O-H?O hydrogen bond links the uncoordinated water mol-ecule to one of the carboxyl-ate groups. In the crystal structure, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007542 | biostudies-literature

Diaqua-bis[4-(dimethyl-amino)benzoato](isonicotinamide)zinc(II).

Project description:The mol-ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl-amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol-ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the N atom of the INA ligand and the O atom of the water mol-ecule in the axial positions. Intra-molecular C-H?O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87?(16) and 2.2?(2)°, while the two benzene rings are oriented at a dihedral angle of 65.13?(8)°. The dihedral angle between the benzene and pyridine rings are 11.47?(7) and 74.83?(8)°, respectively. In the crystal structure, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. ?-? contacts between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.695?(1) and 3.841?(1)?Å, respectively] further stabilize the structure. Weak inter-molecular C-H?? inter-actions are also present.

| S-EPMC2969605 | 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

Diaqua-bis-(2-hy-droxy-5-meth-oxy-benzoato-κO)zinc.

Project description:The title compound, [Zn(C(8)H(7)O(4))(2)(H(2)O)(2)], has been synthesized by hydro-thermal methods. The Zn(II) atom, whose symmetry element is a twofold axis, is four coordinated by two O atoms from 5-meth-oxy-salicylate anions and two aqua O atoms in a distorted tetra-hedral geometry. In the crystal, mol-ecules are linked into a layer by O-H⋯O hydrogen bonds, which stabilize the packing.

| S-EPMC3200808 | biostudies-literature

Diaqua-bis-{2-hy-droxy-5-[(pyridin-2-yl)methyl-idene-amino]-benzoato-?N,N'}zinc(II) dihydrate.

Project description:The complex mol-ecule of the title compound, [Zn(C(13)H(9)N(2)O(3))(2)(H(2)O)(2)]·2H(2)O, has 2 symmetry with the Zn(II) cation located on a twofold rotation axis. The Zn cation is N,N'-chelated by two 5-[(pyridin-2-yl)methyl-idene-amino]-2-hy-droxy-benzoate anions and coordinated by two water mol-ecules in a distorted octa-hedral geometry. Within the anionic ligand, the pyridine ring is oriented at a dihedral angle of 49.54?(10)° with respect to the benzene ring. The carboxyl-ate group of the anionic ligand is not involved in coordination but is O-H?O hydrogen bonded to the coordinated and uncoordinated water mol-ecules. Weak inter-molecular C-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC3011778 | biostudies-literature

Bis(2-amino-3-carb-oxy-pyrazin-1-ium) sulfate dihydrate.

Project description:The crystal structure of the title compound, 2C(5)H(6)N(3)O(2) (+)·SO(4) (2-)·2H(2)O, displays a variety of N-H?O and O-H?O hydrogen bonds in which all potential donors and acceptors are involved. In the crystal, cations and anions are inter-connected, forming R(3) (3)(10) and R(2) (2)(8) ring motifs whereas the anions and water mol-ecules form R(2) (3)(10) rings, which develop in chains running along [100]. The resulting three-dimensional network exhibits undulating sheets parallel to (011), marked by the presence of R(6) (6)(26) rings in which six cations are involved.

| S-EPMC3052097 | biostudies-literature

Diaqua-bis(5-carb-oxy-1H-pyrazole-3-carboxyl-ato-?N,O)cobalt(II) dihydrate.

Project description:In the title complex, [Co(C(5)H(3)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, the Co(II) ion lies on an inversion center and is coordinated in a distorted octa-hedral environment. In the crystal structure, complex and water mol-ecules are linked into a three-dimensional network by O-H?O and N-H?O hydrogen bonds.

| S-EPMC2977339 | biostudies-literature

Diaqua-bis-(4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)cadmium dihydrate.

Project description:The asymmetric unit of the title compound, [Cd(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, consists of one Cd(II) ion, one 4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ate anion, one coordinated water mol-ecule and one lattice water mol-ecule. The Cd(II) ion lies on a twofold axis, and is hexa-coordinated by four O atoms from water mol-ecules and carboxyl-ate groups and two N atoms from two imidazole rings, in a distorted octa-hedral arrangement. An extensive framework of N-H⋯O and O-H⋯O hydrogen bonds with the participation of coordinated and free water mol-ecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

| S-EPMC3151988 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data