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N'-[(E)-2-Hydroxy-benzyl-idene]-5-methyl-isoxazole-4-carbohydrazide monohydrate.

ABSTRACT: In the structure of the title compound, C(12)H(11)N(3)O(3)·H(2)O, the dihedral angle formed by the benzene and isoxazole rings is 2.03 (8)°. The mol-ecular conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond. In the crystal structure, mol-ecules are linked into a three-dimesional network by inter-molecular N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, and by π-π stacking inter-actions involving adjacent benzene and isoxazole rings [centroid-centroid separation = 3.663 (2) Å].

SUBMITTER: Jin YX

PROVIDER: S-EPMC2971927 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-N'-Benzyl-idene-5-methyl-isoxazole-4-carbohydrazide.

Project description:The mol-ecule of the title compound, C(12)H(11)N(3)O(2), is approximately planar with an r.m.s. deviation of 0.0814?Å from the plane through all the non-H atoms. The dihedral angle formed by the benzene and isoxazole rings is 6.88?(16)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?N hydrogen bond, forming an S(6) ring, and the mol-ecule displays an E configuration with respect to the C=N double bond. In the crystal structure, inter-molecular N-H?O hydrogen bonds form centrosymmetric dimers which are further linked by weak C-H?N inter-actions augmented by very weak C-H?? contacts, forming layers parallel to (120).

| S-EPMC2980173 | biostudies-literature

2'-(3-Hydroxy-benzyl-idene)pyrazine-2-carbohydrazide monohydrate.

Project description:The title compound, C(12)H(10)N(4)O(2)·H(2)O, was synthesized by the reaction of pyrazine-2-carboxylic acid hydrazide and 3-hydroxy-benzaldehyde in ethanol. In the crystal structure, the organic mol-ecules are linked into extended chains by inter-molecular N(amide)-H?O(hydr-oxy) hydrogen bonds. Additional hydrogen bonds between the water mol-ecule and three adjacent organic mol-ecules, as well as face-to-face ?-? stacking inter-actions between the benzene and pyrazine rings [centroid-to-centroid separation = 3.669?(2)?Å and offset = 1.362?Å], link the mol-ecules into a three-dimensional framework.

| S-EPMC2915038 | biostudies-literature

(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

Crystal structure of N'-[4-(di-methyl-amino)-benzyl-idene]furan-2-carbohydrazide monohydrate.

Project description:The condensation of 2-furoic hydrazide and 4-dimethyl amino-benzaldehyde in ethanol yielded a yellow solid formulated as the title compound, C14H15N3O2·H2O. The crystal packing is stabilized by inter-molecular O(water)-H?O,N(carbohydrazide) and N-H?O(water) hydrogen bonds, which form a two-dimensional network along the bc plane. Additional C-H?O inter-actions link the mol-ecules into a three-dimensional network. The dihedral angle between the mean planes of the benzene and the furan ring is 34.47?(6)°. The carbohydrazide moiety, i.e., the C=N-N-C=O fragment and the benzene ring are almost coplanar, with an angle of 6.75?(9)° between their mean planes.

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N'-(3-Eth-oxy-2-hydroxy-benzyl-idene)-3-hydroxy-naphthalene-2-carbohydrazide.

Project description:In the mol-ecule of the title compound, C(20)H(18)N(2)O(4), the dihedral angle between the benzene ring and the naphthyl ring system is 8.5?(2)°. In the crystal structure, mol-ecules are linked through inter-molecular O-H?O hydrogen bonds, forming chains running along the b axis.

| S-EPMC2961181 | biostudies-literature

N'-(4-Hydroxy-benzyl-idene)aceto-hydrazide monohydrate.

Project description:In the title compound, C(9)H(10)N(2)O(2)·H(2)O, the mol-ecular skeleton of the acetohydrazide mol-ecule is nearly planar [within 0.014?(1)?Å]. The mol-ecule adopts a trans configuration with respect to the C=N bond, while the side chain is slightly twisted away from the attached ring, forming a dihedral angle of 9.975?(8)°. The crystal packing exhibits a three-dimensional network composed from alternating acetohydrazide mol-ecules and uncoordinated water mol-ecules, which inter-act via N-H?O, O-H?O and O-H?N hydrogen bonds. A C-H?? inter-action is also present.

| S-EPMC2977428 | biostudies-literature

N'-[(E)-4-Bromo-benzyl-idene]-1-benzofuran-2-carbohydrazide monohydrate.

Project description:The title compound, C(16)H(11)BrN(2)O(2)·H(2)O, exists in a trans conformation with respect to the N=C bond [1.2815 (14) Å] and the benzofuran ring system forms a dihedral angle of 2.96 (5)° with the benzene ring. In the crystal, the ketone O atom accepts two O-H⋯O and one C-H⋯O hydrogen bond, and the water O atom accepts an N-H⋯O inter-action. Together, these lead to infinite layers lying parallel to (100).

| S-EPMC3393932 | biostudies-literature

(E)-N'-(4-Chloro-benzyl-idene)-1-benzofuran-2-carbohydrazide monohydrate.

Project description:The title compound, C(16)H(11)ClN(2)O(2)·H(2)O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, mol-ecules are linked via (N,C)-H⋯O bifurcated acceptor hydrogen bonds and (O,O,C)-H⋯O trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.

| S-EPMC3393970 | biostudies-literature

N'-(4-Methyl-benzyl-idene)thio-phene-2-carbohydrazide.

Project description:In the title compound, C(13)H(12)N(2)OS, the dihedral angle between the aromatic rings is 14.84?(17)°. In the crystal, inversion dimers linked by pairs of N-H?O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC2979519 | biostudies-literature

4-Chloro-N'-(2-hydroxy-benzyl-idene)benzohydrazide monohydrate.

Project description:The asymmetric unit of the title compound, C(14)H(11)ClN(2)O(2)·H(2)O, contains a Schiff base mol-ecule and a water mol-ecule of crystallization. The dihedral angle between the two aromatic rings is 27.3?(4)°. In the crystal structure, mol-ecules are linked into a two-dimensional network parallel to the bc plane by inter-molecular O-H?O and N-H?O hydrogen bonds involving the water mol-ecules.

| S-EPMC2960496 | biostudies-literature

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