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4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

ABSTRACT: The title compound, C(10)H(8)N(2)·2C(7)H(5)NO(4),was obtained unintentionally as the harvested product of the hydro-thermal reaction between Co(OAc)(2)·4H(2)O and 4,4'-bipyridine in the presence of 3-nitro-phthalic acid. In the reaction, 3-nitro-phthalic acid is transformed into 3-nitro-benzoic acid by an in situ deca-rboxylation reaction, in which the carboxyl-ate group is not deprotonated and is uncoordinated. In the crystal, the uncoordinated 3-nitro-benzoic acid and free 4,4'-bipyridine mol-ecules are linked alternately by O-H?N hydrogen bonds into chains, which are assembled by C-H?O hydrogen bonds into a three-dimensional supra-molecular network.

SUBMITTER: Zhu Z

PROVIDER: S-EPMC2983553 | biostudies-literature | 2010 Feb

REPOSITORIES: biostudies-literature

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4,4'-Bipyridine-3-nitro-benzoic acid (1/2).

Zhu Zhen Z Wang Feng-Qin FQ Zhao Yong-Nan YN

Acta crystallographica. Section E, Structure reports online 20100206 Pt 3

The title compound, C(10)H(8)N(2)·2C(7)H(5)NO(4),was obtained unintentionally as the harvested product of the hydro-thermal reaction between Co(OAc)(2)·4H(2)O and 4,4'-bipyridine in the presence of 3-nitro-phthalic acid. In the reaction, 3-nitro-phthalic acid is transformed into 3-nitro-benzoic acid by an in situ deca-rboxylation reaction, in which the carboxyl-ate group is not deprotonated and is uncoordinated. In the crystal, the uncoordinated 3-nitro-benzoic acid and free 4,4'-bipyridine mol- ...[more]

PMID: 21580317

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3-Amino-benzoic acid-4,4'-bipyridine (2/3).

Project description:The asymmetric unit of the title compound, 3C(10)H(8)N(2)·2C(7)H(7)NO(2), consists of three mol-ecules of 4,4'-bipyridine (bpy) and two mol-ecules of 3-amino-benzoic acid (bza). Two mol-ecules of bza and two mol-ecules of bpy are connected via O-H?N, N-H?N and N-H?O hydrogen bonds, forming forming infinite double-stranded zigzag chains along the c axis. The third mol-ecule of bpy is linked to the chain by weak C-H?O inter-actions. Adjacent chains are linked via ?-? inter-actions [centroid-centroid distances = 3.759?(3)-3.928?(3)?Å] involving the pyridine rings of bpy mol-ecules, resulting in a sheet-like structure parallel to (100). These sheets are stacked via C-H?? inter-actions, resulting finally in the formation of a three-dimensional supra-molecular structure.

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2,3,4,5-Tetra-fluoro-benzoic acid-4,4'-bipyridine (2/1).

Project description:The asymmetric unit of the title compound, 2C(7)H(2)F(4)O(2)·C(10)H(8)N(2), contains one mol-ecule of 2,3,4,5-tetra-fluoro-benzoic acid (tfb) and half of a centrosymmetric 4,4'-bipyridine mol-ecule. Inter-molecular O-H?N hydrogen bonds link two tfb mol-ecules and one 4,4'-bipyridine mol-ecule into a trimer. Weak inter-molecular C-H?F inter-actions assemble these trimers into a three-dimensional network structure.

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4,4'-Bipyridine-2-meth-oxy-benzoic acid (1/2).

Project description:The asymmetric unit of the title compound, C(10)H(8)N(2)·2C(8)H(8)O(3), contains two 2-meth-oxy-benzoic acid mol-ecules and one 4,4'-bipyridine mol-ecule. The 4,4'-bipyridine mol-ecule is disordered over two positions in a 1:1 ratio. In the crystal, the 2-meth-oxy-benzoic acid and 4,4'-bipyridine mol-ecules are connected by inter-molecular O-H?N hydrogen bonds. The dihedral angle between the carboxy group and its attached ring is 26.823?(2)°.

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4,4'-Bipyridine-2,3,4,5,6-penta-fluoro-benzoic acid (1/2).

Project description:In the title 1:2 adduct, C(10)H(8)N(2)·2C(7)HF(5)O(2), the complete 4,4'-bipyridine mol-ecule is generated by a crystallographic twofold axis. The components of the adduct are linked by inter-molecular O-H?N hydrogen bonds and further connected by a combination of C-H?O, C-H?F and F?F [2.859?(2)?Å] inter-actions.

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4,4'-Bipyridine-4-(p-toluene-sulfonamido)-benzoic acid (1/2).

Project description:In the title compound, C(14)H(13)NO(4)S·0.5C(10)H(8)N(2), the two benzene rings are nearly perpendicular to each other [dihedral angle = 83.21 (10)°]. The bipyridine mol-ecule is centrosymmetric, the mid-point of the C-C bond linking the pyridine rings being located on an inversion center. Inter-molecular N-H⋯O and O-H⋯N hydrogen bonds and weak inter-molecular C-H⋯O hydrogen bonds are present in the crystal structure.

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Hemi(4,4'-bipyridinium) hexa-fluorido-phosphate bis-(4-amino-benzoic acid) 4,4'-bipyridine monohydrate.

Project description:In the title compound, 0.5C(10)H(10)N(2) (2+)·PF(6) (-)·C(10)H(8)N(2)·2C(7)H(7)NO(2)·H(2)O, the cation is located on a center of symmetry. The crystal structure is determined by a complex three-dimensional network of inter-molecular O-H?O, O-H?N, N-H?N and N-H?F hydrogen bonds. ?-? stacking inter-actions between neighboring pyridyl rings are also present; the centroid-centroid distance is 3.643?(5)?Å. The hexa-fluoridophosphate anion is disordered over two positions with site-occupancy factors of ca 0.6 and 0.4.

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4-(2-Carboxy-benzo-yl)benzoic acid-4,4'-bipyridine (1/1).

Project description:In the heteromolecular title compound, C(15)H(10)O(5)·C(10)H(8)N(2), the two components are linked by O-H⋯N hydrogen bonds to form four-component ring supra-molecular assemblies. These are further inter-connected with neighbouring mol-ecules by weak inter-molecular C-H⋯π inter-actions and C-H⋯O hydrogen bonds to generate a three-dimensional network.

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(Benzoato-κO)(benzoic acid-κO)(4,4'-dimethyl-2,2'-bipyridine-κN,N')hydroxidocopper(II) monohydrate.

Project description:In the structure of the title complex, [Cu(C(7)H(5)O(2))(OH)(C(12)H(12)N(2))(C(7)H(6)O(2))]·H(2)O, the Cu(II) ion is penta-coordinated in a tetra-gonal-pyramidal geometry with one O atom of a hydroxide group, one O atom of a benzoate anion and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand occupying the basal plane, and one O atom of a benzoic acid mol-ecule located at the apical site. The title complex was refined with a metal-coordinated OH group and a 'free' benzoic acid molecule, although it can be assumed that the proton is delocalized between the OH and the COOH group. The uncoordinated water mol-ecule is equally disordered over two positions. The structure displays O-H⋯O hydrogen bonding.

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(?-4,4'-Bipyridine-?N:N')bis-[triaqua-(4,4'-bipyridine-?N)(3-nitro-phthalato-?O)cobalt(II)].

Project description:The title binuclear complex, [Co(2)(C(8)H(3)NO(6))(2)(C(10)H(8)N(2))(3)(H(2)O)(6)], has been synthesized hydro-thermally from 3-nitro-phthalic acid (H(2)NPA), Co(NO(3))(2)·6H(2)O and 4,4'-bipyridine (4,4'-bipy). The mol-ecule of the complex occupies a special position on an inversion centre. The Co(II) atom has a slightly distorted octa-hedral environment formed by two N atoms from two 4,4'-bipy ligands, one carboxyl-ate O atom from NPA, and three O atoms of water mol-ecules. An extensive O-H?O and N-H?O hydrogen-bonding system links mol-ecules of the complex into a three-dimensional network.

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4,4'-Bipyridine acetic acid disolvate.

Project description:The crystal structure of the title compound, C(10)H(8)N(2)·2C(2)H(4)O(2), is built up from 4,4'-bipyridine and acetic acid mol-ecules linked by strong O-H?N hydrogen bonds. The 4,4'-bipyridine and the two acetic acid mol-ecules are further connected through weak C-H?O hydrogen bonds to form a supra-molecular two-dimensional network parallel to the (001) plane. The two pyridine rings make a dihedral angle of 31.8?(1)°.

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