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Tetra-kis[μ-4-(dimethyl-amino)benzoato-κO:O']bis-[(N,N-diethyl-nicotinamide-κN)zinc(II)].

ABSTRACT: 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.

SUBMITTER: Hokelek T

PROVIDER: S-EPMC2971944 | biostudies-literature |

REPOSITORIES: biostudies-literature

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catena-Poly[[(4-methyl-benzoato-κO)manganese(II)]-μ-aqua-bis-(μ-4-methyl-benzoato-κO:O')[(4-methyl-benzoato-κO)manganese(II)]-bis-(μ-N,N-diethyl-nicotinamide)-κN:O;O:N].

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

Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate.

Project description:In the title centrosymmetric binuclear Cd(II) compound, [Cd(2)(C(7)H(5)O(3))(4)(C(6)H(6)N(2)O)(2)]·4H(2)O, the six-coordinated Cd(II) atom is chelated by the carboxyl-ate groups of the two 3-hy-droxy-benzoate (HB) anions; the two monomeric units are bridged through the two O atoms of the two carboxyl-ate groups. In the crystal, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π Contacts between the pyridine rings and between the benzene rings [centroid-centroid distances = 3.770 (1), 3.769 (1) and 3.632 (1) Å] may further stabilize the structure.

| S-EPMC3274919 | biostudies-literature

Bis(4-meth-oxy-benzoato)-κO,O';κO-bis-(nicotinamide-κN)zinc(II).

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

Tetra-kis(?-4-methyl-benzoato-?O:O')bis-[(N,N-diethyl-nicotinamide-?N)zinc(II)].

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(8)H(7)O(2))(4)(C(10)H(14)N(2)O)(2)], the Zn atoms [Zn?Zn' = 2.9494?(3)?Å] are bridged by four 4-methyl-benzoate (PMB) anions. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement, the octahedral coordin-ation being completed by the pyridine N atom of the N,N-diethyl-nicotinamide (DENA) ligand. Each Zn(II) ion is displaced by 0.3530?(1)?Å from the plane of the four O atoms. The dihedral angles between carboxyl-ate groups and their adjacent benzene rings are 5.88?(10) and 11.89?(9)°, while the benzene rings are oriented at a dihedral angle of 75.19?(4)°. The pyridine ring is oriented at dihedral angles of 38.28?(4) and 49.17?(4)° with respect to the benzene rings. In the crystal structure, weak inter-molecular C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between parallel benzene rings [centroid-centroid distance = 3.8388?(8)?Å] and between parallel pyridine rings [centroid-centroid distance = 3.4855?(7)?Å] may further stabilize the crystal structure.

| S-EPMC2983782 | biostudies-literature

Tetra-kis(μ-penta-fluoro-benzoato-κO:O')bis-[(tetra-hydro-furan-κO)molybdenum(II)].

Project description:In the asymmetric unit of the title compound, [Mo(2)(C(7)F(5)O(2))(4)(C(4)H(8)O)(2)], two independent half-mol-ecules are present, which are completed by a crystallographically imposed center of inversion between the individual Mo atoms. In each mol-ecule, four penta-fluoro-benzoate anions bridge the quadruply bonded Mo(2) (4+) unit that is, in addition, axially coordinated by two O atoms of tetra-hydro-furan (THF) mol-ecules. In the two independent mol-ecules, the mean Mo-Mo bond length is 2.110 Å. Since the THF mol-ecules are equally disordered over two sets of sites, there are four different Mo-O distances in both half-mol-ecules with an overall mean of 2.542 Å. A zigzag chain is formed by π-π stacking inter-actions between penta-fluoro-phenyl rings, indicated by a centroid-centroid distance of 3.7054 (11) Å and a centroid-to-plane distance of 3.4169 (3) Å. The extension of the unit gives a three-dimensional network structure with the THF mol-ecules located in the voids.

| S-EPMC3200930 | 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

Crystal structure of tetra-kis-(μ-2,4,6-tri-methyl-benzoato-κ(2) O:O')bis-[(nicotinamide-κN (1))copper(II)].

Project description:In the title binuclear Cu(II) complex, [Cu2(C10H11O2)4(C6H6N2O)2], the two Cu(II) cations [Cu⋯Cu = 2.5990 (5) Å] are bridged by four 2,4,6-tri-methyl-benzoate (TMB) anions. The four nearest O atoms around each Cu(II) cation form distorted square-planar arrangements and the distorted square-pyramidal coordinations are completed by the pyridine N atoms of nicotinamide mol-ecules at distances of 2.164 (2) and 2.165 (2) Å, respectively. The Cu(II) cations are displaced by -0.2045 (3) and 0.2029 (3) Å from the corresponding planes formed by the nearest four O atoms. In the mol-ecule, the dihedral angles between the planes of the benzene rings and the adjacent carboxyl-ate groups are 80.6 (2), 51.4 (2), 24.4 (2) and 32.5 (2)°, while the planes of the pyridine rings are oriented at a dihedral angle of 11.28 (10)°. In the crystal, bifurcated N-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules, enclosing R 2 (2)(8) and R 4 (4)(8) ring motifs, into a three-dimensional network. The structure contains a solvent-accessible void of 72 Å(3), but there is no solvent mol-ecule located within this void. The crystal studied was an inversion twin refined with a minor component of 0.488 (8).

| S-EPMC4571374 | biostudies-literature

Tetra-kis[?-4-(diethyl-amino)-benzoato-?O:O']bis-[(N,N-diethyl-nicotinamide-?N)cobalt(II)].

Project description:In the centrosymmetric binuclear title complex, [Co(2)(C(11)H(14)NO(2))(4)(C(10)H(14)N(2)O)(2)], the two Co(II) cations [Co?Co = 2.6199?(5)?Å] are bridged by four 4-(diethyl-amino)-benzoate (DEAB) anions. The four nearest O atoms around each Co(II) ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination geometry being completed by the pyridine N atom of an N,N-diethyl-nicotinamide (DENA) ligand. The dihedral angle between the benzene ring and the carboxyl-ate group is 7.06?(11)° in one of the independent DEAB ligands and 4.42?(9)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.35?(8)°. The pyridine ring is oriented at dihedral angles of 31.43?(6) and 57.92?(7)° with respect to the two benzene rings. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into a three-dimensional network. Weak C-H?? inter-actions are also present in the crystal structure.

| S-EPMC3050165 | biostudies-literature

Tetra-kis(μ-2-chloro-4-nitro-benzoato-κO:O')bis-[aqua-copper(II)].

Project description:In the title binuclear copper(II) complex, [Cu(2)(C(7)H(3)ClNO(4))(4)(H(2)O)(2)], each of the two independent Cu(II) center is five-coordinated by four O atoms of the carboxyl-ate groups in the basal plane and one O atom of a water mol-ecule in the apical position, in a distorted square-pyramidal geometry. The Cu-Cu distance is 2.6458 (4) Å. In the crystal structure, the dinuclear units are linked into a three-dimensional network by O-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds. One of the Cl atoms is disordered over two positions with occupancies of 0.650 (2) and 0.350 (2).

| S-EPMC2967917 | biostudies-literature

Tetra-kis[?-4-(diethyl-amino)benzoato-?O:O']bis-[(N,N-diethyl-nicotinamide-?N)zinc(II)].

Project description:In the centrosymmetric binuclear title complex, [Zn(2)(C(11)H(14)NO(2))(4)(C(10)H(14)N(2)O)(2)], the two Zn(II) ions [Zn?Zn = 2.8874?(3)?Å] are bridged by four 4-(diethyl-amino)benzoate (DEAB) ligands. The four nearest O atoms around each Zn(II) ion form a distorted square-planar arrangement, the distorted square-pyramidal coordination being completed by the pyridine N atom of an N,N-diethyl-nicotinamide (DENA) ligand at a distance of 2.0484?(12)?Å. The dihedral angle between the benzene ring and the carboxyl-ate group is 4.89?(6)° in one of the independent DEAB ligands and 7.13?(7)° in the other. The benzene rings of the two independent DEAB ligands are oriented at a dihedral angle of 86.58?(5)°. The pyridine ring is oriented at dihedral angles of 31.17?(4) and 58.38?(4)° with respect to the two benzene rings. In the crystal, weak inter-molecular C-H?O inter-actions link the mol-ecules into a three-dimensional network. Two weak C-H?? inter-actions are also present. The two ethyl groups of one of the DEAB ligands are disordered over two orientations, with occupancy ratios of 0.798?(5):0.202?(5) and 0.890?(5):0.110?(5).

| S-EPMC2977087 | biostudies-other

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