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1,3-Di-4-pyridylpropane-4,4'-oxy-dibenzoic acid (1/1).

ABSTRACT: The hydro-thermal reaction of Cd(NO(3))(2)·4H(2)O, 1,3-di-4-pyridylpropane (BPP) and 4,4'-oxydibenzoic acid (OBA) led to the formation of the title compound, C(13)H(14)N(2)·C(14)H(10)O(5). The asymmetric unit consists of one mol-ecule of OBA and one of BPP. In the OBA mol-ecule, one COOH group is nearly planar with its attached benzene ring [dihedral angle = 0.9?(1)°], while the other COOH group is slightly twisted with a dihedral angle of 10.8?(3)°. The carboxyl groups form strong inter-molecular O-H?N hydrogen bonds with N atoms of the pyridine rings in BPP, linking the mol-ecules into zigzag chains.

SUBMITTER: Li G

PROVIDER: S-EPMC2960149 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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1,3-Di-4-pyridylpropane-4,4'-oxy-dibenzoic acid (1/1).

Li Guangzhe G Salim Chris C Hinode Hirofumi H

Acta crystallographica. Section E, Structure reports online 20081108 Pt 12

The hydro-thermal reaction of Cd(NO(3))(2)·4H(2)O, 1,3-di-4-pyridylpropane (BPP) and 4,4'-oxydibenzoic acid (OBA) led to the formation of the title compound, C(13)H(14)N(2)·C(14)H(10)O(5). The asymmetric unit consists of one mol-ecule of OBA and one of BPP. In the OBA mol-ecule, one COOH group is nearly planar with its attached benzene ring [dihedral angle = 0.9 (1)°], while the other COOH group is slightly twisted with a dihedral angle of 10.8 (3)°. The carboxyl groups form strong inter-molecul ...[more]

PMID: 21581232

Similar Datasets

1,3-Di-4-pyridylpropane-4,4'-oxy-dibenzoic acid (1/1).

Project description:In the title compound, C(13)H(14)N(2)·C(14)H(10)O(5), a 1:1 cocrystal of 1,3-di-4-pyridylpropane (bpp) and 4,4'-oxydibenzoic acid (H(2)oba), the dihedral angle between the two benzene rings of the flexible H(2)oba mol-ecule is 57.07?(1)°; the two pyridine rings of bpp make a dihedral angle of 27.52?(1)°. Strong inter-molecular O-H?N hydrogen bonds link the mol-ecules into chains, which are then linked into a three-dimensional network through inter-molecular C-H?O and ?-? stacking inter-actions [centroid-centroid distance = 3.7838?(3)?Å].

| S-EPMC2959904 | biostudies-other

4,4'-(Propane-1,3-di-yl)dibenzoic acid.

Project description:The complete molecule of the title compound, C(17)H(16)O(4), is generated by crystallographic twofold symmetry, with the central C atom lying on the rotation axis and a dihedral angle between the benzene rings of 81.9 (2)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonding between carboxyl groups, forming one-dimensional supra-molecular chains.

| S-EPMC2969863 | biostudies-literature

4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid.

Project description:In the title compound, C(21)H(14)O(8), the central benzene ring makes dihedral angles of 77.8?(6) and 75.9?(5)° with the outer benzene rings. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds involving carboxyl groups, forming one-dimensional ladders. Two-dimensional layers are formed by inter-penetration of these one-dimensional ladders.

| S-EPMC3344173 | biostudies-literature

4,4'-(Anthracene-9,10-di-yl)dibenzoic acid dimethyl-formamide disolvate.

Project description:In the title compound, C(28)H(18)O(4)·2C(3)H(7)NO, the dihedral angle between the benzene rings and the anthracene system is 74.05?(12)°. A crystallographic inversion centre is located in the middle of the anthracene unit. The dimethyl-formamide solvent mol-ecules are partially disordered over two positions of approximately equal occupancy [0.529?(6):0.471?(6)]. Inter-molecular O-H?O hydrogen bonds with the major occupancy formamide O atom as acceptor result in the formation of 2:1 solvate-complex aggregates, which are alternately linked to shorter solvate units via weak inter-molecular C-H?O contacts generated from the rotational disorder of the formamide O atom (minor occupancy component). Weak C-H?? inter-actions between the solvent mol-ecules as the donor and the outer anthracene rings support these contacts in the crystal structure for both disorder components.

| S-EPMC2969536 | biostudies-literature

catena-Poly[[dichloridonickel(II)]-μ-1,3-di-4-pyridylpropane].

Project description:The title compound, [NiCl(2)(C(13)H(14)N(2))](n), is a one-dimensional polymer built up from alternating NiCl(2) units and bridging 1,3-di-4-pyridylpropane ligands. The Ni atom has a distorted tetra-hedral coordination formed by the Cl atoms and two N atoms from two ligands. A mirror plane pases through the central methylene group of the propyl chain.

| S-EPMC2961883 | biostudies-literature

4,4'-(1,1,1,3,3,3-Hexafluoro-propane-2,2-diyl)dibenzoic acid.

Project description:In the title compound, C(17)H(10)F(6)O(4), the two benzene rings are twisted with respect to each other, making a dihedral angle of 67.43?(12)°. In the crystal, adjacent mol-ecules are linked by O-H?O and C-H?F hydrogen bonding, forming a wave-like layered supra-molecular structure.

| S-EPMC2979395 | biostudies-literature

4,4'-Bipyrid-yl-4,4'-(hy-droxy-methyl-ene)dibenzoic acid (1/1).

Project description:In the title 1:1 co-crystal, C(10)H(8)N(2)·C(15)H(12)O(5), strong inter-molecular O-H?N hydrogen bonds link alternating mol-ecules of 4,4'-(hy-droxy-methyl-ene)dibenzoic acid and 4,4'-bipyridyl into zigzag chains in [501]. The crystal packing also exhibits ?-? inter-actions between the 4,4'-bipyridyl rings of neighbouring chains [centroid-centroid distance = 3.608?(3)?Å] and weak C-H?O hydrogen bonds.

| S-EPMC3344114 | biostudies-literature

catena-Poly[[bis-(3-carb-oxy-5-nitro-benzoato-κO)copper(II)]-μ-1,3-di-4-pyridylpropane-κN:N'].

Project description:In the title compound, [Cu(C(8)H(4)NO(6))(2)(C(13)H(14)N(2))](n), the square-planar coordinated Cu(II) ion lies on an inversion centre and is coordinated by two protonated 5-nitro-isophthalate ligands. The Cu(II) ions are linked into a one-dimensional coordination polymer by tethering 1,3-di-4-pyridylpropane ligands, whose central methyl-ene C atoms are situated on twofold rotation axes. The chains are oriented parallel to the c axis, and stack into a supra-molecular three-dimensional structure through O-H⋯O hydrogen-bonding inter-actions.

| S-EPMC2969884 | biostudies-literature

6,6'-Dihydr-oxy-3,3'-dithio-dibenzoic acid.

Project description:In the title compound, C(14)H(10)O(6)S(2), the dihedral angle between the planes of the two phenyl-ene rings is 55.9?(1)°. Both hydr-oxy groups form intra-molecular hydrogen bonds; however, one of them also engages in inter-molecular hydrogen bonding. In the crystal, mol-ecules are connected into helical chains by O-H?O hydrogen bonds. The crystal studied was an inversion twin with a domain ratio of 0.51?(13):0.49?(13).

| S-EPMC2969348 | biostudies-literature

6,6'-Di-tert-butyl-4,4'-dimeth-oxy-2,2'-[1,3-diazinane-1,3-diylbis(methyl-ene)]diphenol 0.19-hydrate.

Project description:In the title hexa-hydro-pyrimidine derivative, C(28)H(42)N(2)O(4)·0.19H(2)O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic mol-ecule and a solvent water mol-ecule with occupany 0.095. The mol-ecule lies on a mirror plane perpendicular to [010] which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water mol-ecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71?(3)°. Two intra-molecular O-H?N hydrogen bonds with graph-set motif S(6) are present. No remarkable inter-molecular contacts exist in the crystal structure.

| S-EPMC3254529 | biostudies-literature

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