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Diaqua-bis-(N,N-diethyl-pyridine-3-carboxamide-?N)bis-{4-[2-(2,4-dioxopentan-3-yl-idene)hydrazin-1-yl]benzoato-?O}copper(II).

ABSTRACT: In the title compound, [Cu(C(12)H(11)N(2)O(4))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Cu(II) atom lies on a center of inversion and is coordinated by carboxyl-ate O atoms, pyridine N atoms and two water mol-ecules in an elongated octa-hedral geometry. The pyridine ring is oriented at a dihedral angle of 74.83?(12)° with respect to the benzene ring. Intra-molecular O-H?O and N-H?O hydrogen bonding is observed. The water mol-ecule is a hydrogen-bond donor to the carbonyl O atom of an adjacent carboxyl-ate group, generating a chain running along the a axis. One of the ethyl groups is disordered over two sets of sites in a 0.787?(5):0.213 ratio.

SUBMITTER: Alieva RA

PROVIDER: S-EPMC3274866 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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Diaqua-bis-(N,N-diethyl-pyridine-3-carboxamide-κN)bis-{4-[2-(2,4-dioxopentan-3-yl-idene)hydrazin-1-yl]benzoato-κO}copper(II).

Alieva Rafiqa A RA Mardanova Vusala I VI Chyraqov Famil M FM Gurbanov Atash V AV Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120111 Pt 2

In the title compound, [Cu(C(12)H(11)N(2)O(4))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Cu(II) atom lies on a center of inversion and is coordinated by carboxyl-ate O atoms, pyridine N atoms and two water mol-ecules in an elongated octa-hedral geometry. The pyridine ring is oriented at a dihedral angle of 74.83 (12)° with respect to the benzene ring. Intra-molecular O-H⋯O and N-H⋯O hydrogen bonding is observed. The water mol-ecule is a hydrogen-bond donor to the carbonyl O atom of an adjacent carb ...[more]

PMID: 22346813

Similar Datasets

catena-Poly[[aqua-bis-{4-[2-(2,4-dioxopentan-3-yl-idene)hydrazin-1-yl]benzo-ato-κO}copper(II)]-μ-N,N-diethyl-pyridine-3-carboxamide-κN:O].

Project description:The Cu(II) atom in the title compound, [Cu(C(12)H(11)N(2)O(4))(2)(C(10)H(14)N(2)O)(H(2)O)](n), lies in a square plane defined by the O atoms of the carboxyl-ate ions, the N atom of the N-heterocycle and the water mol-ecule. Coordination by an amido O atom of an adjacent N-heterocycle in the apical direction leads to a polymeric chain running along [01[Formula: see text]]. The chain motif is consolidated by hydrogen bonds involving the water mol-ecule; the water mol-ecule is a hydrogen-bond donor to the free carbonyl atoms of the carboxyl-ate ions. Intra-molecular N-H⋯O hydrogen bonds also occur.

| S-EPMC3274867 | biostudies-literature

5-Diethyl-amino-2-{[2-(2,4-dinitro-phen-yl)hydrazin-1-yl-idene]meth-yl}phenol.

Project description:In the title compound, C(17)H(19)N(5)O(5), obtained from the condensation reaction of 4-diethyl-amino-2-hy-droxy-benzalde-hyde and 2,4-dinitro-phenyl-hydrazine, the two benzene rings are twisted by a dihedral angle of 1.75 (12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20 (15) and 5.78 (15)°. An intra-molecular O-H⋯N hydrogen bond occurs. In the crystal, mol-ecules are linked by pairs of inter-molecular N-H⋯O hydrogen bonds, forming dimers through R(2) (2)(12) rings. These dimers are further linked by C-H⋯O and C-H⋯π and weak slipped π-π inter-actions [centroid-centroid distance = 3.743 (2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.

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Project description:The title salt, C(16)H(18)N(6)O(2) (2+)·2ClO(4) (-)·2H(2)O, was obtained unintentionally as a major product in the reaction of Zn(ClO(4))(2)·6H(2)O with the N',N'(2)-bis-[(1E)-1-(2-pyrid-yl)ethyl-idene]ethanedihydrazide (H(2)L) ligand. The (H(4)L)(2+) cation lies across a centre of inversion. The pyridiniumimine fragments of (H(4)L)(2+) adopt syn orientations. Intra-molecular N-H⋯N and N-H⋯O hydrogen bonds lead to the formation of S(5) motifs. In the crystal, neighbouring cations are connected by π-π inter-actions between pyridinium units with a centroid-centroid distance of 3.600 (1) Å. Moreover, the crystal components are assembled into two-dimensional layers via N-H⋯O and O-H⋯O hydrogen bonds, with no direct hydrogen-bonding inter-actions between cations.

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Diethyl (E)-2,3-bis-[(E)-(2-methyl-2-phenyl-hydrazin-1-yl-idene)meth-yl]but-2-enedioate.

Project description:The complete mol-ecule of the title compound, C24H28N4O4, is generated by crystallographic inversion symmetry. The ethyl side chain is disordered over two sets of sites in a 0.57 (4):0.43 (4) ratio. The dihedral angles between the methyl-idene group and the phenyl ring and ester side chain (major conformation) are 7.61 (8) and 86.95 (8)°, respectively. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, forming corrugated sheets lying parallel to (010).

| S-EPMC4051109 | biostudies-literature

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

Project description:In the monomeric centrosymmetric title Ni(II) complex, [Ni(C(7)H(4)BrO(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-bromo-benzoate ligand, one diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule. 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 two DENA ligands in the axial positions. The dihedral angle between the benzene ring and the attached carboxyl-ate group is 87.73 (15)°, while the pyridine and benzene rings are oriented at a dihedral angle of 42.48 (7)°. In the crystal structure, O-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (10). In addition, C-H⋯O hydrogen bonds are observed.

| S-EPMC2969431 | biostudies-literature

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

Project description:The title Cu(II) complex, [Cu(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) ligands, two monodentate diethyl-nicotinamide (DENA) 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 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 4.6 (3) and 3.7 (2)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82 (11) and 3.63 (14)°. 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 π-π contact between the pyridine rings [centroid-centroid distance = 3.469 (2) Å] are also observed.

| S-EPMC3120545 | biostudies-literature

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

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 π-π inter-actions between the pyridine rings of DENA units, with a centroid-centroid distance of 3.668 (2) Å.

| S-EPMC2968564 | 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-(N,N'-diethyl-nicotinamide-κN)bis-(4-fluoro-benzoato-κO)copper(II).

Project description:The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains one-half of the mol-ecule. The Cu(II) ion is located on an inversion centre, and is coordinated by two N atoms from two diethyl-nicotinamide ligands, two O atoms from two 4-fluoro-benzoate (PFB) ligands and two water mol-ecules in a distorted octa-hedral geometry. In the PFB ligand, the carboxyl-ate group is twisted at an angle of 2.10 (14)° from the attached benzene ring. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains. Weak inter-molecular C-H⋯O hydrogen bonds and π-π inter-actions between the pyridine rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.571 (2) Å] further consolidate the crystal packing.

| S-EPMC3212262 | 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

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