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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 |

REPOSITORIES: biostudies-literature

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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?? and ?-? [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 ?-? 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

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.

| S-EPMC2960922 | biostudies-literature

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.

| S-EPMC3588778 | biostudies-literature

2-Methyl-sulfonyl-4-(trifluoro-meth-yl)benzoic acid.

Project description:In the title mol-ecule, C(9)H(7)F(3)O(4)S, the S and the methyl C atoms of the methyl-sulfonyl group deviate from the benzene ring plane by 0.185?(2) and -1.394?(3)?Å, respectively. In the crystal, O-H?O hydrogen bonds link the mol-ecules into chains along [201]. Weak C-H?O inter-actions further link these chains into layers parallel to the ac plane.

| S-EPMC3379423 | biostudies-literature

3-[(Z)-(4-Diethyl-amino-6-oxocyclo-hexa-2,4-dien-1-yl-idene)methyl-amino]benzoic acid.

Project description:The title compound, C(18)H(20)N(2)O(3), crystallizes as the keto tautomer, unlike the vast majority of similar structures that have been reported that contain the hydr-oxy tautomer. There are two strong hydrogen bonds in the crystal structure, both accepted by the same carbonyl group: one intra-molecular N-H?O and one inter-molecular O-H?O. As a result, the carbonyl C=O distance is long, at 1.310?(2)?Å, which may suggest the mol-ecule has a significant zwitterionic character. The dihedral angle between the benzene ring planes is 15.05?(7)°. As a result of the intramolecular hydrogen bond, the bridging C-C=N-C group is almost coplanar with the benzene ring that has the diethylamino substituent [dihedral angle 2.35?(15)°].

| S-EPMC2915231 | biostudies-literature

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 ?-? 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

Crystal structure of (pyridin-2-yl-methyl-idene)(tri-phenyl-meth-yl)amine.

Project description:The title Schiff base compound, C25H20N2, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules, the imine group is approximately coplanar with the pyridine ring, with N-C-C-N torsion angles of 170.1?(3) and -172.0?(3)?Å. In the crystal, A and B dimers are linked by pairs of C-H?? inter-actions and further C-H?? bonds link the dimers into a three-dimensional network.

| S-EPMC4257176 | biostudies-literature

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