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N'-[(E)-Furan-2-yl-methyl-idene]pyridine-3-carbohydrazide.

ABSTRACT: The title compound, C(11)H(9)N(3)O(2), exists in the E conformation with respect to the azomethane C=N bond, and has the keto form. There are two independent mol-ecules in the asymmetric unit and each of these features a slight slanting of the pyridine and furan rings, which form a dihedral angle of 14.96 (10)° in one of the mol-ecules and 5.53 (10)° in the other. The crystal structure is stabilized by N-H⋯O and N-H⋯N hydrogen bonds, weak C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π inter-actions and π-π inter-actions [shortest centroid-centroid distance = 3.7864 (15) Å].

SUBMITTER: Emmanuel J

PROVIDER: S-EPMC3238925 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-N'-[4-(Methyl-sulfan-yl)benzyl-idene]furan-2-carbohydrazide monohydrate.

Project description:In the title compound, C(13)H(12)N(2)O(2)S·H(2)O, the dihedral angle between the aromatic rings is 35.34?(19)° and an intra-molecular N-H?O hydrogen bond generates an S(5) ring. In the crystal, mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating (001) sheets.

| S-EPMC3007322 | biostudies-literature

N'-{(E)-[5-(Hy-droxy-meth-yl)furan-2-yl]methyl-idene}pyridine-4-carbohydrazide dihydrate.

Project description:In the title compound, C12H11N3O3·2H2O, the dihedral angle formed by the planes of the pyridine and the furan rings of the organic carbohydrazide mol-ecule is 4.66?(7)°. In the crystal, these mol-ecules form stacks along the b-axis direction, neighbouring mol-ecules within each stack being related by inversion and the shortest distance between the centroids of the pyridine and furan rings being 3.714?(1)?Å. Mol-ecules from neighboring stacks are linked by pairs of N-H?O hydrogen bonds. The water mol-ecules fill the channels between the stacks being linked by O-H?O hydrogen bonds into helices along [010]. Besides this, water mol-ecules are involved in O-H?N and O-H?O hydrogen bonds with the carbohydrazide mol-ecules, thus forming a three-dimensional network, augmented by weak C-H?O interactions.

| S-EPMC3793823 | biostudies-other

N'-(Butan-2-yl-idene)furan-2-carbohydrazide.

Project description:The title Schiff base compound, C(9)H(12)N(2)O(2), was obtained from a condensation reaction of butan-2-one and furan-2-carbohydrazide. The furan ring and the hydrazide fragment are roughly planar, the largest deviation from the mean plane being 0.069?(2)Å, but the butanyl-idene group is twisted slightly with respect to this plane by a dihedral angle of 5.2?(3)°. In the crystal, inter-molecular N-H?O hydrogen bonds link pairs of inversion-related mol-ecules, forming dimers of R(2) (2)(8) graph-set motif.

| S-EPMC2983189 | biostudies-literature

N'-[(E)-(3-Fluoro-pyridin-2-yl)methyl-idene]pyridine-3-carbohydrazide dihydrate.

Project description:The organic molecule in the title dihydrate, C12H9FN4O·2H2O, exists in the E conformation with respect to the azo-methane C=N double bond. The mol-ecule is approximately planar, with a maximum deviation of 0.117 (1) Å for the carbonyl O atom from the mean plane of the mol-ecule. Both pyridine rings are essentially coplanar with the central C(=O)N2C unit [dihedral angles = 1.99 (7) and 5.71 (8)°], exhibiting a significant difference in dihedral angles from its benzohydrazide analogue. The crystal packing features N-H⋯O, O-H⋯N and O-H⋯O hydrogen-bond inter-actions, which lead to the formation of a chain along the c-axis direction through one of the water mol-ecules present, and these chains are stacked one over the other by means of π-π inter-actions [with centroid-centroid distances of 3.7099 (10) and 3.6322 (10) Å] between the aromatic rings in neighbouring anti-parallel mol-ecules, building a three-dimensional supra-molecular network.

| S-EPMC3998601 | biostudies-literature

N'-[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl-idene]naphtho-[2,1-b]furan-2-carbohydrazide monohydrate.

Project description:In the title hydrate, C(23)H(16)N(4)O(2)·H(2)O, the pyrazole ring is approximately planar, with a maximum deviation of 0.023 (1) Å, and makes dihedral angles of 28.63 (6) and 46.44 (7)° with the naphtho-[2,1-b]furan ring system and the benzene ring, respectively, In the crystal, O-H⋯N, O-H⋯O, N-H⋯O, N-H⋯N, C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules, forming sheets lying parallel to the ab plane. The crystal structure also features C-H⋯π inter-actions involving the centroids of the pyrazole and benzene rings.

| S-EPMC3239098 | biostudies-literature

N'-[(E)-(1-Methyl-1H-pyrrol-2-yl)methyl-idene]pyridine-4-carbohydrazide.

Project description:In the title compound, C(12)H(12)N(4)O, the pyridine and pyrrole rings are inclined at an angle of 29.22?(8)° and an intra-molecular C-H?N inter-action geneates an S(6) ring. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming (010) C(7) chains. The chains are cross-linked by weak C-H?O inter-actions, which generate R(2) (2)(18) ring motifs within an infinite sheet. Finally, two C-H?? inter-actions are present, where the C-H groups are from the pyridine ring and ? is the pyrrole ring.

| S-EPMC3006824 | biostudies-other

Di-?-chlorido-bis-(chlorido-{N'-[phen-yl(pyridin-2-yl-?N)methyl-idene]pyridine-2-carbohydrazide-?(2) N',O}cadmium).

Project description:The title compound, [Cd2Cl4(C18H14N4O)2], was obtained from the reaction of Cd(NO3)2·4H2O with 2-phenyl-pyridine-keton picolinoyl hydrazone and sodium chloride. Each Cd(2+) cation is coordinated by two N atoms and one O atom of the tridentate ligand and three chloride anions, forming a distorted CdNOCl3 octahedron. Each pair of adjacent metal cations is linked by two bridging chloride ligands, resulting in a dinuclear complex unit. The mol-ecular conformation is stabilized by intra-molecular N-H?N and C-H?O hydrogen bonds. In the crystal, mol-ecules are linked by nonclassical C-H?O and C-H?Cl hydrogen bonds into a three-dimensional network. In addition, ?-? stacking inter-actions [centroid-centroid distances = 3.777?(2) and 3.631?(2)?Å] contribute to the stabilization of the crystal packing.

| S-EPMC4051065 | biostudies-literature

N'-[(1E)-(5-Nitro-furan-2-yl)methyl-idene]thio-phene-2-carbohydrazide: crystal structure and Hirshfeld surface analysis.

Project description:In the title carbohydrazide, C10H7N3O4S, the dihedral angle between the terminal five-membered rings is 27.4 (2)°, with these lying to the same side of the plane through the central CN2C(=O) atoms (r.m.s. deviation = 0.0403 Å), leading to a curved mol-ecule. The conformation about the C=N imine bond [1.281 (5) Å] is E, and the carbonyl O and amide H atoms are anti. In the crystal, N-H⋯O hydrogen bonds lead to supra-molecular chains, generated by a 41 screw-axis along the c direction. A three-dimensional architecture is consolidated by thienyl-C-H⋯O(nitro) and furanyl-C-H⋯O(nitro) inter-actions, as well as π-π inter-actions between the thienyl and furanyl rings [inter-centroid distance = 3.515 (2) Å]. These, and other, weak inter-molecular inter-actions, e.g. nitro-N-O⋯π(thien-yl), have been investigated by Hirshfeld surface analysis, which confirms the dominance of the conventional N-H⋯O hydrogen bonding to the overall mol-ecular packing.

| S-EPMC4992931 | biostudies-literature

N'-[(E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-4-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine bond. The pyridyl and fluoro-benzene rings make dihedral angles of 38.58?(6) and 41.61?(5)° respectively with the central C(=O)N2CC unit, resulting in a non-planar mol-ecule. The inter-molecular inter-actions comprise two classical N-H?O and N-H?N hydrogen bonds and four non-classical C-H?O and C-H?F hydrogen bonds. These inter-actions are augmented by a weak ?-? inter-action between the benzene and pyridyl rings of neighbouring mol-ecules, with a centroid-centroid distance of 3.9226?(10)?Å. This leads to a three-dimensional supra-molecular assembly in the crystal system. The F atom is disordered over two sites in a 0.559?(3): 0.441?(3) ratio, through a 180° rotation of the fluoro-benzene ring.

| S-EPMC4011257 | biostudies-literature

N'-[(1E)-1-(2-Fluoro-phen-yl)ethyl-idene]pyridine-3-carbohydrazide.

Project description:The title compound, C14H12FN3O, adopts an E conformation with respect to the azomethine double bond whereas the N and methyl C atoms are in a Z conformation with respect to the same bond. The ketonic O and azomethine N atoms are cis to each other. The non-planar mol-ecule [the dihedral angle between the benzene rings is 7.44 (11)°] exists in an amido form with a C=O bond length of 1.221 (2) Å. In the crystal, a bifurcated N-H⋯(O,N) hydrogen bond is formed between the amide H atom and the keto O and imine N atoms of an adjacent mol-ecule, leading to the formation of chains propagating along the b-axis direction. Through a 180° rotation of the fluoro-phenyl ring, the F atom is disordered over two sites with an occupancy ratio of 0.632 (4):0.368 (4).

| S-EPMC3998283 | biostudies-literature

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