Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the crystal structure of the title Mn(II) complex, [Mn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Mn(II) cation is located on an inversion center and coordinated by two diethyl-nicotinamide (DENA) ligands, two 4-bromo-benzoate (PBB) anions and two water mol-ecules in a distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 3.25?(14)°. In the mol-ecule, the pyridine ring and the benzene ring are oriented at a dihedral angle of 77.24?(5)°. In the crystal, inter-molecular C-H?O hydrogen bonds link the mol-ecules into a two-dimensional network. Weak inter-molecular C-H?O hydrogen bonds and ?-? inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-centroid distance = 3.537?(1)?Å] further consolidate the crystal packing.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3200634 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

Necefoğlu Hacali H Ozbek Füreya Elif FE Oztürk Vijdan V Adıgüzel Vedat V Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20110806 Pt 9

In the crystal structure of the title Mn(II) complex, [Mn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Mn(II) cation is located on an inversion center and coordinated by two diethyl-nicotinamide (DENA) ligands, two 4-bromo-benzoate (PBB) anions and two water mol-ecules in a distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 3.25 (14)°. In the mol-ecule, the pyridine ring and the benzene ring are oriented at a dihedral angl ...[more]

PMID: 22064749

Similar Datasets

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).

Project description:The title Mn(II) complex, [Mn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], is centrosymmetric. The mol-ecule contains two 2-bromo-benzoate (BB) and two diethyl-nicotinamide (DENA) ligands and two water mol-ecules, 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 distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 79.95 (11)°, while the pyridine and benzene rings are oriented at a dihedral angle of 45.66 (6)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977587 | biostudies-literature

Diaqua-bis-(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)cobalt(II).

Project description:In the mononuclear title compound, [Co(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on a crystallographic inversion center. The asymmetric unit is completed by one 2-bromo-benzoate anion, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule; all ligands are monodentate. The four O atoms in the equatorial plane around Co(II) 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 axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 84.7 (1)°; the pyridine and benzene rings are oriented at a dihedral angle of 43.64 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3007909 | biostudies-literature

Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II).

Project description:In the centrosymmetric title complex, [Zn(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) atom is located on an inversion center. The asymmetric unit contains one 2-bromo-benzoate (BB), one diethyl-nicotinamide (DENA) ligand and one coordinating water molecule. The four O atoms in the equatorial plane around the Zn atom form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl group and the adjacent benzene ring is 85.51 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 44.07 (6)°. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains.

| S-EPMC2977549 | biostudies-literature

Diaqua-bis-(4-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)copper(II).

Project description:The title Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-bromo-benzoate (PBB), two diethyl-nicotinamide (DENA) monodentate ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Cu(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 the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 3.1 (3) and 3.74 (17)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.81 (10) and 3.38 (12)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into double chains along the b axis. C-H⋯O inter-actions are also observed. π-π contacts between pyridine rings [centroid-centroid distance = 3.485 (2) Å] may further stabilize the crystal structure.

| S-EPMC3200662 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)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-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).

Project description:The title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Zn atom on an inversion center. The mol-ecule contains two 2-bromo-benzoate (BB) and two nicotinamide (NA) ligands and two coordinated water mol-ecules, all ligands being monodentate. The four O atoms in the equatorial plane around the Zn 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 31.14 (12)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.54 (5)°. In the crystal structure, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into infinite chains. A weak C-H⋯π inter-action is also present.

| S-EPMC2977639 | biostudies-literature

Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)cobalt(II).

Project description:In the crystal structure of the title Co(II) complex, [Co(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the metal centre is located on an inversion center and is coordinated by two 4-formyl-benzoate (FOB), two diethyl-nicotinamide (DENA) ligands and two water mol-ecules in a slightly distorted CoO(4)N(2) octa-hedral geometry. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into infinite chains. π-π contacts between the parallel pyridine rings of neighboring DENA ligands [centroid-centroid distance = 3.652 (3) Å] further stabilize the crystal structure.

| S-EPMC2968947 | biostudies-literature

Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)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

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

Diaqua-bis(4-methyl-amino-benzoato-κO)bis-(nicotinamide-κN)nickel(II).

Project description:The title Ni(II) complex, [Ni(C(8)H(8)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], is centrosymmetric with the Ni atom on an inversion center. The mol-ecule contains two 4-methyl-amino-benzoate (MAB) and two nicotinamide (NA) ligands and two coordinated 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-ate group and the adjacent benzene ring is 2.09 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 66.15 (4)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2977638 | 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