Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-formyl-benzoato-κO)cobalt(II).
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ABSTRACT:
SUBMITTER: Sertcelik M
PROVIDER: S-EPMC2968947 | biostudies-literature |
REPOSITORIES: biostudies-literature
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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:In the title complex, [Co(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Co(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (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 N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 23.91?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 88.84?(4)°. 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. ?-? stacking between the parallel benzene rings of adjacent mol-ecules [centroid-centroid distance = 3.8505?(8)?Å] may further stabilize the structure. A weak C-H?? inter-action also occurs in the crystal.
| S-EPMC3414145 | biostudies-literature
Project description:The title compound, [Mn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains one Mn(II) atom lying on an inversion centre, two 4-formyl-benzoate and two diethyl-nicotinamide ligands and two coordinated water mol-ecules. All ligands are monodentate. The four O atoms around the Mn atom form a slightly distorted equatorial plane, while the distorted octa-hedral coordination is completed by the two N atoms in the axial positions. An intra-molecular O-H?O hydrogen bond occurs in the complex. In the crystal structure, O-H?O hydrogen bonds link the mol-ecules through an R(2) (2)(16) ring motif, forming a one-dimensional chain along the a axis. The ?-? contact between the pyridyl rings [centroid-centroid distance = 3.629?(2)?Å] may further stabilize the structure.
| S-EPMC2968440 | biostudies-literature
Project description:In the title centrosymmetric mononuclear Ni(II) compound, [Ni(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the central Ni(II) atom is coordinated by two O atoms from two 4-formyl-benzoate (FOB) ligands, two O atoms from two water mol-ecules and two N atoms from two diethyl-nicotinamide (DENA) ligands. The coordination geometry is slightly distorted octa-hedral, with four O atoms in the equatorial plane and two N atoms in axial positions. Intra-molecular O-H?O hydrogen bonds are observed. In the crystal structure, mol-ecules are linked into chains along the a axis by inter-molecular O-H?O hydrogen bonds. The structure is further stabilized by ?-? inter-actions between the pyridine rings of DENA units, with a centroid-centroid distance of 3.668?(2)?Å.
| S-EPMC2968564 | biostudies-literature
Project description:The title Co(II) complex, [Co(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB), two monodentate diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Co(II) ion 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. 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 4.52?(18) and 4.56?(18)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 7.76?(10) and 5.67?(13)°. In the crystal, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H?O inter-actions and a ?-? contact between the pyridine rings [centroid-centroid distance = 3.476?(2)?Å] are also observed.
| S-EPMC3089307 | 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 mol-ecule, [Zn(2)(C(9)H(10)NO(2))(4)(C(10)H(14)N(2)O)(2)], is a centrosymmetric binuclear complex, with Zn atoms [Zn⋯Zn' = 2.8927 (4) Å] bridged by four carboxyl-ate groups from the dimethyl-amino-benzoate (DMAB) ligands. The four carboxyl O atoms around the Zn atom form a distorted square-planar arrangement; the distorted square-pyramidal coordination geometry is completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. The Zn atom is displaced by 0.3326 (2) Å from the plane of the four O atoms, with an average Zn-O distance of 2.0416 (12) Å. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 5.31 (8) and 11.00 (9)°, while the pyridine ring is oriented at dihedral angles of 66.26 (6) and 37.88 (7)° with respect to the benzene rings. Weak intra-molecular C-H⋯O and inter-molecular C-H⋯π inter-actions are present.
| S-EPMC2971944 | biostudies-literature
Project description:In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation 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-ate group and the adjacent benzene ring is 2.96?(11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H?O hydrogen bond. In the crystal, O-H?O and weak C-H?O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A ?-? contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654?(8)?Å].
| S-EPMC3414129 | 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 title complex, [Ni(C(8)H(5)O(3))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the Ni(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate (FB) anions, two nicotinamide (NA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Ni(II) cation 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 23.67?(8)°, while the pyridine and benzene rings are oriented at an angle of 89.04?(4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an 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. ?-? contacts between benzene rings [centroid-centroid distance = 3.8414?(7)?Å] may further stabilize the structure. A weak C-H?? inter-action also occurs.
| S-EPMC3393204 | biostudies-literature