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Ethyl 3-(4-methyl-benzyl-idene)carbazate.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(14)N(2)O(2), which have similar conformations. In the crystal, the mol-ecules are linked by N-H?O hydrogen bonds, generating C(4) chains propagating in [001].

SUBMITTER: Li YF

PROVIDER: S-EPMC3006752 | biostudies-literature | 2010 Jun

REPOSITORIES: biostudies-literature

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Ethyl 3-(4-methyl-benzyl-idene)carbazate.

Li Yu-Feng YF Sheng Wen-Hai WH Jian Fang-Fang FF

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

There are two mol-ecules in the asymmetric unit of the title compound, C(11)H(14)N(2)O(2), which have similar conformations. In the crystal, the mol-ecules are linked by N-H⋯O hydrogen bonds, generating C(4) chains propagating in [001]. ...[more]

PMID: 21587808

Similar Datasets

Methyl 3-(4-methyl-benzyl-idene)carbazate.

Project description:The title compound, C(10)H(12)N(2)O(2), was prepared by the reaction of methyl carbazate and 4-methyl-benzaldehyde. The dihedral angle between the benzene ring and the carbazate fragment is 20.86?(10)°. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds.

| S-EPMC2979553 | biostudies-literature

Ethyl 3-(2,4-dichloro-benzyl-idene)carbazate.

Project description:The title compound, C(10)H(10)Cl(2)N(2)O(2), was prepared by the reaction of ethyl carbazate and 2,4-dichloro-benzaldehyde. In the crystal structure, mol-ecules are linked by inter-molecular N-H?O hydrogen bonds, forming extended chains along [001].

| S-EPMC2971455 | biostudies-literature

Ethyl 3-(3-eth-oxy-2-hydroxy-benzyl-idene)carbazate.

Project description:In the title compound, C(12)H(16)N(2)O(4), an intra-molecular O-H?O hydrogen bond occurs. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains propagating in the [010] direction.

| S-EPMC2971398 | biostudies-literature

(E)-Methyl 3-(2-nitro-benzyl-idene)dithio-carbazate.

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)O(2)S(2), contains two independent mol-ecules, A and B, with similar bond dimensions. In both mol-ecules, the nitro group is tilted with respect to the aromatic ring [dihedral angles 32.0 (1)° in mol-ecule A and 34.0 (1)° in mol-ecule B]. The dithio-carbazate unit is nearly coplanar with the aromatic ring in both mol-ecules. For mol-ecule B, pairs of mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds about a centre of symmetry to form a dimer, whereas mol-ecules A are not involved in hydrogen bonding in the crystal structure.

| S-EPMC2915011 | biostudies-literature

Methyl 3-(2-hy-droxy-benzyl-idene)-2-methyl-dithio-carbazate.

Project description:In the title compound, C(10)H(12)N(2)OS(2), the thione and S-methyl groups are syn. An intra-molecular bifurcated O-H⋯(S,N) hydrogen bond occurs.

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Benzyl (E)-3-(2-methyl-benzyl-idene)dithio-carbazate.

Project description:The title compound, C(16)H(16)N(2)S(2), was obtained from the condensation reaction of benzyl dithio-carbazate and 2-methyl-benzaldehyde. The asymmetric unit contains two independent mol-ecules. In both mol-ecules, the methyl-phenyl ring and the dithio-carbazate fragment are located on opposite sides of the C=N bond, showing an E conformation. In each mol-ecule, the dithio-carbazate fragment is approximately planar, the r.m.s deviations being 0.018 and 0.025?Å. The mean plane of dithio-carbazate group is oriented at dihedral angles of 7.9?(3) and 68.24?(12)°, respectively, to the methyl-phenyl and phenyl rings in one mol-ecule, while the corresponding angles in the other mol-ecule are 10.9?(3) and 69.76?(16)°. Inter-molecular N-H?S hydrogen bonding occurs in the crystal structure to generate inversion dimers for both molecules.

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Benzyl 2-methyl-3-[(E)-(thio-phen-2-yl)methyl-idene]dithio-carbazate.

Project description:In the title compound, C(14)H(14)N(2)S(3), the thione S atom and methyl group are syn, as are the two thio-ether S atoms. The mol-ecule is twisted, the dihedral angles between the central (C(2)N(2)S(2)) residue and the pendent 2-thienyl and phenyl rings being 21.57?(6) and 77.54?(3)°, respectively. In the crystal, mol-ecules assemble into a three-dimensional architecture via C-H?? inter-actions, involving both the five- and six-membered rings as acceptors, as well as S?S inter-actions [3.3406?(5)?Å] between centrosymmetrically related 2-thienyl rings.

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(E)-Methyl 3-(3,5-dibromo-2-hy-droxy-benzyl-idene)carbazate.

Project description:The title compound, C(9)H(8)Br(2)N(2)O(3), crystallizes with two very similar independent mol-ecules in the asymmetric unit, each of which adopts a trans configuration with respect to the C=N bond. Intra-molecular O-H⋯N hydrogen bonds are observed in each independent mol-ecule. In the crystal structure, mol-ecules are linked into chains propagating along [010] by N-H⋯O and C-H⋯O hydrogen bonds. In addition, C-H⋯π inter-actions stabilize the structure.

| S-EPMC3007842 | biostudies-literature

Benzyl 3-[(E)-(furan-2-yl)methyl-idene]-2-methyldithio-carbazate.

Project description:In the title compound, C(14)H(14)N(2)OS(2), the furan ring exhibits rotational disorder over two orientations, with an occupancy ratio of 0.508 (7):0.492 (7). The furan and phenyl rings form dihedral angles of 8.2 (6) (major occupancy component), 14.8 (6) (minor occupancy component) and 73.65 (9)°, respectively, with the central residue (C(4)N(2)S(2)), indicating a twisted conformation for the mol-ecule. The methyl group and the thione S atom are syn and the conformation about the imine bond is E. In the crystal, C-H⋯π inter-actions involving the phenyl ring are observed.

| S-EPMC3435764 | biostudies-literature

Benzyl 3-[(E)-benzyl-idene]dithio-carbazate.

Project description:Crystals of the title compound, C(15)H(14)N(2)S(2), were obtained from a condensation reaction of benzyl dithio-carbazate and benzaldehyde. The mol-ecule assumes an E configuration about the N=C double bond. The phenyl ring of the thio-ester group is nearly perpendicular to the dithio-carbazate plane, with a dihedral angle of 84.60 (5)°. In the crystal structure, inter-molecular N-H⋯S hydrogen bonding links adjacent mol-ecules to form a centrosymmetric supra-molecular dimer.

| S-EPMC2961347 | biostudies-literature

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