Browse
Submit Data
Databases
API
Help

Dataset Information

18 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(3-chloro-benzoato-?(2) O,O')bis-(nicotinamide-?N)copper(II).

ABSTRACT: The mol-ecule of the title Cu(II) complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chloro-benzoate (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 carboxyl-ate 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 mol-ecules into a three-dimensional network. The ?-? contact between the benzene rings [centroid-centroid distance = 3.982?(2)?Å] may further stabilize the crystal structure.

SUBMITTER: Bozkurt N

PROVIDER: S-EPMC3772403 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(3-chloro-benzoato-κ(2) O,O')bis-(nicotinamide-κN)copper(II).

Bozkurt Nihat N Dilek Nefise N Caylak Delibaş Nagihan N Necefoğlu Hacali H Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

The mol-ecule of the title Cu(II) complex, [Cu(C7H4ClO2)2(C6H6N2O)2], contains two 3-chloro-benzoate (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 carboxyl-ate 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 o ...[more]

PMID: 24046546

Similar Datasets

Aqua-bis-(3-chloro-benzoato-?O)bis-(N,N-di-ethyl-nicotinamide-?N)copper(II).

Project description:The title compound, [Cu(C7H4ClO2)2(C10H14N2O)2(H2O)], has twofold symmetry with the Cu(II) cation and the O atom of the coordinating water mol-ecule located on the axis. The Cu(II) cation is coordinated by two carboxyl-ate O atoms of chloro-benzoate (CB) anions, two N atoms of N,N-di-ethyl-nicotinamide (DENA) ligands and one water mol-ecule 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 carboxyl-ate 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 mol-ecule and the carboxyl group link the complex mol-ecules into supra-molecular chains running along the c-axis direction.

| S-EPMC3793693 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom located on an inversion centre. The mol-ecule contains two 2-chloro-benzoate (CB) and two nicotinamide (NA) ligands and two water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Ni atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 29.48 (16)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.16 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π Contacts between the benzene and pyridine rings [centroid-centroid distance = 3.952 (1) Å] may further stabilize the crystal structure. There is also a C-H⋯π inter-action.

| S-EPMC2968958 | biostudies-literature

Aqua-bis-(4-fluoro-benzoato-?O)bis-(nicotinamide-?N)copper(II) nicotinamide hemisolvate trihydrate.

Project description:The asymmetric unit of the title compound, [Cu(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·0.5C(6)H(6)N(2)O·3H(2)O, contains two aqua-bis-(4-fluoro-benzoato)bis-(nicotinamide)-copper(II) mol-ecules, one nicotinamide solvent mol-ecule and six water mol-ecules. The Cu(II) ion is coordinated by two O atoms from two 4-fluoro-benzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O-H?O, O-H?N and N-H?O hydrogen bonds consolidate the crystal packing, which also exhibits ?-? inter-actions between the aromatic rings [centroid-centroid distances 3.692?(2)-3.794?(2)?Å].

| S-EPMC3254320 | biostudies-literature

Diaqua-bis-(2-chloro-benzoato-?O)bis-(nicotinamide-?N (1))cobalt(II).

Project description:In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the Co(II) cation is located on an inversion center and is coord-inated by two 2-chloro-benzoate anions, two nicotin-amide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) cation 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 adjacent benzene ring is 29.7?(4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17?(15)°. Intra-molecular O-H?O hydrogen bonding occurs between the carboxyl-ate group and coordinating water mol-ecule. In the crystal, inter-molecular N-H?O, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3588457 | biostudies-literature

catena-Poly[[bis-(5-chloro-2-nitro-benzoato)copper(II)]-bis-(?-5-chloro-2-nitro-benzoato)].

Project description:In the title compound, [Cu(2)(C(7)H(3)ClNO(4))(4)](n), the coordination geometry around each Cu(II) ion is distorted square-pyramidal. The CuO(5) coordination is formed by five O atoms from the carboxyl-ate groups of five 5-chloro-2-nitro-benzoate ligands. This coordination leads to the formation of centrosymmetric binuclear units which are edge-shared, forming a linear chain along the a axis, with the Cu(II) ions alternately separated by 2.5891?(4) and 3.1763?(4)?Å. The chains are inter-connected into a three-dimensional network by C-H?O inter-actions.

| S-EPMC2968352 | biostudies-literature

Diaqua-bis-(2-iodo-benzoato-?O)bis-(nicotinamide-?N(1))copper(II).

Project description:In the title complex, [Cu(C(7)H(4)IO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Cu(II) cation is located on an inversion center and is coordinated by two monodentate 2-iodo-benzoate (IB) anions, two nicotinamide (NA) ligands and two water mol-ecules in a distorted octa-hedral coordination geometry. The dihedral angle between the carboxyl-ate 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 mol-ecule links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond. In the crystal, N-H?O, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network.

| S-EPMC3435587 | biostudies-literature

Tetra-kis(?-3-chloro-benzoato-?(2) O:O')bis-[(N,N-di-ethyl-nicotinamide-?N (1))copper(II)].

Project description:In the title centrosymmetric binuclear Cu(II) complex, [Cu2(C7H4ClO2)4(C10H14N2O)2], the two Cu(II) cations [Cu?Cu = 2.6314?(4)?Å] are bridged by four 3-chloro-benzoate (CB) anions. The four carboxyl-ate O atoms around each Cu(II) cation form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of the N,N-di-ethyl-nicotinamide (DENA) mol-ecule. The dihedral angle between the benzene ring and the carboxyl-ate 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 mol-ecules into supra-molecular chains running along [101].

| S-EPMC3793677 | biostudies-literature

Diaqua-bis(4-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)manganese(II).

Project description:The title compound, [Mn(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], is a monomeric complex with the Mn(II) atom lying on an inversion center. It contains two 4-chloro-benzoate and two diethyl-nicotinamide ligands and two water mol-ecules, all of which are monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the distorted octa-hedral geometry is completed by two N atoms in the axial positions. In the crystal structure, O-H?O hydrogen bonds link the mol-ecules into an infinite chain.

| S-EPMC2960864 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)manganese(II).

Project description:In the monomeric title complex, [Mn(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Mn(II) atom is located on a crystallographic centre of inversion. The asymmetric unit contains one 2-chloro-benzoate (CB) ligand, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule, all ligands being monodentate. The four O atoms in the equatorial plane around the Mn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 77.9?(11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 45.94?(5)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977573 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-?O)bis-(N,N-diethyl-nicotinamide-?N)nickel(II).

Project description:In the monomeric and centrosymmetric title Ni(II) complex, [Ni(C(7)H(4)ClO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Ni(II) ion is located on an inversion center. The asymmetric unit contains one 2-chloro-benzoate ligand, one diethyl-nicotinamide (DENA) ligand and one coordinating water mol-ecule, the ligands being 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 two N atoms of the DENA ligands in axial positions. The dihedral angle between the benzene ring and the attached carboxyl-ate group is 87.36?(10)°, while the pyridine and benzene rings are oriented at an angle of 41.90?(5)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10).

| S-EPMC2977595 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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