Diaqua-bis(4-methyl-benzoato-κO)zinc(II).
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ABSTRACT:
SUBMITTER: Ma DY
PROVIDER: S-EPMC2914921 | biostudies-literature |
REPOSITORIES: biostudies-literature
Similar Datasets
Project description:The title mononuclear complex mol-ecule, [Zn(C(7)H(4)BrO(3))(2)(C(7)H(8)N(2)O)(2)(H(2)O)(2)], has a crystallographically imposed centre of symmetry. The zinc(II) atom is coordinated by two N atoms from two N-methyl-nicotinamide ligands, two O atoms from two 5-bromo-salicylate anions and two aqua O atoms in a slightly distorted octa-hedral geometry. Intra-molecular O-H?O hydrogen-bonding inter-actions are present. In the crystal structure, mol-ecules are linked by inter-molecular O-H?O and N-H?O hydrogen bonds, forming a two-dimensional network perpendicular to [100].
| S-EPMC2983787 | biostudies-literature
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
Project description:The asymmetric unit of the title complex, [Zn(C(8)H(7)O(3))(2)(C(6)H(6)N(2)O)(2)], contains three crystallographically independent mol-ecules with similar configurations. The Zn(II) cation is coordinated by two N atoms of two nicotinamide ligands and three O atoms from two 4-meth-oxy-benzoate anions in a distorted trigonal-bipyramidal geometry. In each independent mol-ecule, one Zn-O bond distance [2.5181 (12), 2.5931 (12) and 2.4085 (12) Å for the three mol-ecules] is significantly longer than the other two. In the crystal structure, extensive N-H⋯O and C-H⋯O hydrogen bonding links the mol-ecules into a three-dimensional network. π-π contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.7655 (9) and 3.8453 (10) Å, respectively] further stabilize the crystal structure.
| S-EPMC3007960 | biostudies-literature
Project description:The title Zn(II) complex, [Zn(C(9)H(9)O(2))(2)(C(6)H(6)N(2)O)(2)], contains two 4-ethyl-benzoate and two nicotinamide monodentate ligands, leading to a distorted tetrahedral coordination of the Zn(II) ion. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 10.33 (13) and 2.38 (11)°, while opposite pyridine and benzene rings are oriented at dihedral angles of 68.46 (5) and 81.09 (6)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules, forming a three-dimensional network. C-H⋯O inter-actions also occur as well as two weak C-H⋯π inter-actions involving the benzene rings.
| S-EPMC3051993 | biostudies-literature
Project description:The monomeric title Zn(II) complex, [Zn(C(7)H(4)BrO(2))(2)(H(2)O)(2)], contains two 4-bromo-benzoate (BB) ligands and two coordinated water mol-ecules around a Zn(II) atom on a twofold rotation axis. The BB ions act as bidentate ligands, with two very dissimilar coordination distances. The sixfold coordination around the Zn(II) may be described as highly distorted octa-hedral, with the two aqua ligands arranged cis. Hydrogen bonding involving the carboxyl-ate O atoms has an effect on the delocalization in the carboxyl-ate groups. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains parallel to the c axis and stacked along the b axis.
| S-EPMC2960796 | biostudies-literature
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
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?? inter-action is also present.
| S-EPMC2977639 | biostudies-literature
Project description:In the title dinuclear complex, [Cu(2)(C(8)H(7)O(2))(4)(C(2)H(5)OH)(2)], four 2-methyl-benzoato anions form a cage around two Cu(II) ions in a syn-anti configuration. Two ethanol mol-ecules coordinate the Cu atoms in apical positions, giving an overall square-pyramidal coordination geometry. The Cu⋯Cu separation is 2.600 (1) Å. In the crystal, mol-ecules are assembled into chains extending in [001] through O-H⋯O hydrogen bonds.
| S-EPMC3246983 | biostudies-literature
Project description:The asymmetric unit of the title complex, [Mn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)(H(2)O)](n), contains two crystallographically independent units. In each one, the Mn(II) ions are bridged by two 4-methyl-benzoate (PMB) ligands and one water mol-ecule. In the crystal structure, each Mn(II) ion is coordinated by three PMB ligands, one water mol-ecule and two symmetry-related N,N-diethyl-nicotinamide (DENA) ligands. Symmetry-related Mn(II) ions are bridged by the N and O atoms of symmetry-related DENA ligands, forming polymeric chains parallel to [100]. The coord-ination environmnts for the Mn(II) ions are slightly distorted octa-hedral. Intra-molecular O-H⋯O hydrogen bonds link bridging water mol-ecules to the carboxyl-ate O atoms of a neigh-boring polymeric chain. In the crystal structure, π-π contacts between benzene rings [centroid-centroid distance = 3.562 (1) Å] and weak C-H⋯π inter-actions are also observed.
| S-EPMC3006929 | biostudies-literature
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