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(E)-4-{[(Pyridin-4-yl-methyl-idene)amino]-meth-yl}benzoic acid.

ABSTRACT: The title mol-ecule, C(14)H(12)N(2)O(2), exhibits a V-shaped conformation with a dihedral angle of 59.69 (3)° between the benzene and pyridine rings. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into zigzag chains along [010].

SUBMITTER: Han SH

PROVIDER: S-EPMC3274987 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature

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(E)-4-{[(Pyridin-4-yl-methyl-idene)amino]-meth-yl}benzoic acid.

Han Sun Hwa SH Lee Soon W SW

Acta crystallographica. Section E, Structure reports online 20120107 Pt 2

The title mol-ecule, C(14)H(12)N(2)O(2), exhibits a V-shaped conformation with a dihedral angle of 59.69 (3)° between the benzene and pyridine rings. In the crystal, O-H⋯N hydrogen bonds link the mol-ecules into zigzag chains along [010]. ...[more]

PMID: 22346932

Similar Datasets

Benzoic acid-4-{(1E)-[(E)-2-(pyridin-4-yl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:In the title co-crystal, C(12)H(10)N(4)·2C(7)H(6)O(2), the complete 4-pyridine-aldazine mol-ecule is generated by a crystallographic centre of inversion. In the crystal, mol-ecules are connected into a three component aggregate via O-H⋯N hydrogen bonds. As both the benzoic acid [O-C-C-C torsion angle = 174.8 (2)°] and 4-pyridine-aldazine (r.m.s. deviation of the 16 non-H atoms = 0.041 Å) mol-ecules are almost planar, the resulting three-component aggregate is essentially planar. The crystal packing comprises layers of the three-component aggregates of alternating orientation stacked along the b axis; the connections between the mol-ecules are of the types C-H⋯π and π-π [pyridine-benzene centroid-centroid distance = 3.787 (4) Å].

| S-EPMC3009056 | biostudies-literature

4-({[(E)-Pyridin-3-yl-methyl-idene]amino}-meth-yl)cyclo-hexa-necarb-oxy-lic acid.

Project description:The title compound, C(14)H(18)N(2)O(2), contains two geometrically different mol-ecules in the asymmetric unit: the basal plane of the cyclo-hexane chair and the N-[pyridin-3-yl-methyl-idene]methanamine moiety are oriented at dihedral angles of 71.77 (7)° and 83.42 (8)°. In the crystal, the mol-ecules are linked by O-H⋯N hydrogen bonds, generating C(13) head-to-tail chains extending along the base vector [103]. R(2) (2)(26) ring motifs are formed due to the C-H⋯·O inter-actions that link neighbouring chains. There also exist π-π inter-actions [centroid-centroid separation = 3.6925 (12) Å] between the symmetry-related pyridine rings of one of the independent mol-ecules.

| S-EPMC3089300 | biostudies-literature

2-{[(E)-1,3-Benzodioxol-5-yl]methyl-idene-amino}-benzoic acid.

Project description:In the title compound, C(15)H(11)NO(4), the dihedral angle between the aromatic rings is 23.8 (2)° and an intra-molecular O-H⋯N hydrogen bond generates an S(6) ring. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

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(E)-2-{4-[(Pyridin-2-yl)methyl-idene-amino]-phen-yl}acetic acid.

Project description:The title mol-ecule, C(14)H(12)N(2)O(2), forms a dimeric unit linked by a pair of symmetry-equivalent O-H⋯N hydrogen bonds. The aromatic rings are significantly twisted from each other with a dihedral angle of 44.04 (4)°.

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4-[(2-Hydr-oxy-1-naphth-yl)methyl-idene-amino]benzoic acid.

Project description:The mol-ecule of the title compound, C(18)H(13)NO(3), is almost planar, the dihedral angle between the naphthalene and benzene ring systems being 4.04 (6)°. The mol-ecular conformation and packing are stabilized by intra-molecular O-H⋯N and inter-molecular O-H⋯O and C-H⋯O inter-actions.

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3,5-Bis[(pyridin-4-yl)meth-oxy]benzoic acid.

Project description:Single crystals of the title compound, C19H16N2O4, were obtained under hydro-thermal conditions by an unintended recrystallization of the employed microcrystalline starting material. The [(pyridin-4-yl)meth-oxy]benzoic acid unit is nearly planar, with a maximum deviation from the least-squares plane of 0.194 (2) Å. This plane is inclined by 35.82 (6)° to that defined by the second (pyridin-4-yl)meth-oxy group [in which the largest deviation from the least-squares plane is 0.013 (2) Å]. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds involving the acid hy-droxy group and a pyridine N atom into chains parallel to [-201].

| S-EPMC3588300 | biostudies-literature

Benzoic acid-2-{(E)-[(E)-2-(2-pyridyl-methyl-idene)hydrazin-1-yl-idene]meth-yl}pyridine (2/1).

Project description:The asymmetric unit of the title cocrystal, C(12)H(10)N(4)·2C(7)H(6)O(2), comprises a single mol-ecule of benzoic acid and one half-mol-ecule of 2-pyridine-aldazine situated about a centre of inversion. The carboxyl group is coplanar with the benzene ring to which it is connected [O-C-C-C = -172.47 (12)°] and similarly, the 2-pyridine-aldazine mol-ecule is planar (r.m.s. deviation of the 16 non-H atoms = 0.017 Å). In the crystal, mol-ecules are connected into a non-planar three-mol-ecule aggregate [dihedral angle between the benzene and pyridyl ring connected by the hydrogen bond = 61.30 (7)°] with a twisted Z-shape. Layers of 2-pyridine-aldazine mol-ecules in the ab plane are sandwiched by benzoic acid mol-ecules being connected by O-H⋯N and C-H⋯O inter-actions, the latter involving the carbonyl O atom so that each benzoic acid mol-ecule links three different 2-pyridine-aldazine mol-ecules. Inter-digitated layers stack along the c axis.

| S-EPMC3009141 | biostudies-literature

(4-{[(Pyridin-4-yl)methyl-idene]amino}-phen-yl)ferrocene.

Project description:The asymetric unit of the title compound, [Fe(C5H5)(C17H13N2)], contains two independent mol-ecules whose conformations differ, especially in the 4-{(pyridin-4-yl)methyl-idene]amino}-phenyl unit where one is flipped by almost 180°. The cyclo-penta-dienyl rings of the ferrocene unit also exhibit different staggered conformations: in one mol-ecule the conformation is staggered by 9.43 (2)° and in the other by 24.46 (1)° from an ideal eclipsed geometry. The plane of the benzene ring is tilted away from the ferrocene group in both mol-ecules, with dihedral angles of 6.97 (1) and 10.30 (2)°. The benzene ring is also slightly twisted from the plane of the pyridine ring, with dihedral angles of 5.98 (2) and 6.51 (2)° in the two mol-ecules.

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(E)-4-Meth-oxy-N'-[(pyridin-4-yl)methyl-idene]benzohydrazide monohydrate.

Project description:In the title compound, C(14)H(13)N(3)O(2)·H(2)O, the azomethine double bond adopts an E conformation and the N-N=C-C torsion angle is 178.37?(19)°. The dihedral angle between the benzene and pyridine rings is 5.58?(12)° and the C atom of the meth-oxy group is roughly coplanar with its attached ring [deviation = 0.157?(3)?Å]. In the crystal, the components are linked by O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, forming (001) sheets. The water O atom accepts one N-H?O and two C-H?O inter-actions from the adjacent organic mol-ecule.

| S-EPMC3435810 | biostudies-other

Ethyl 4-[({[(6-chloro-pyridin-3-yl)meth-yl](meth-yl)amino}(4-fluoro-anilino)-methyl-idene)amino]-3-phenyl-2-sulfanyl-idene-2,3-dihydro-1,3-thia-zole-5-carboxyl-ate.

Project description:In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia-zole, pyridine and phenyl rings. The crystal structure features N-H⋯S and C-H⋯O hydrogen bonds and weak π-π stacking inter-actions [centroid-centroid separation = 3.7702 (17) Å]. The terminal methyl group of the eth-oxy-carbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio.

| S-EPMC3394060 | biostudies-literature

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