Browse
Submit Data
Databases
API
Help

Dataset Information

20 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 3-[(E)-1-(4-amino-phen-yl)ethyl-idene]dithio-carbazate.

ABSTRACT: The title compound, C(10)H(13)N(3)S(2), was obtained from a condensation reaction of methyl dithio-carbazate and 4-amino-acetophenone. In the crystal structure, the nearly planar mol-ecule assumes an E configuration, the benzene ring and dithio-carbazate group being located on opposite sides of the N=C bond. C-H?? inter-actions and N-H?S hydrogen bonding are present in the crystal structure.

SUBMITTER: Shan S

PROVIDER: S-EPMC2961396 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 3-[(E)-1-(4-amino-phen-yl)ethyl-idene]dithio-carbazate.

Shan Shang S Wang Shan-Heng SH Tian Yu-Liang YL Wang Wen-Long WL Xu Ying-Li YL

Acta crystallographica. Section E, Structure reports online 20080507 Pt 6

The title compound, C(10)H(13)N(3)S(2), was obtained from a condensation reaction of methyl dithio-carbazate and 4-amino-acetophenone. In the crystal structure, the nearly planar mol-ecule assumes an E configuration, the benzene ring and dithio-carbazate group being located on opposite sides of the N=C bond. C-H⋯π inter-actions and N-H⋯S hydrogen bonding are present in the crystal structure. ...[more]

PMID: 21202540

Similar Datasets

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.

| S-EPMC3344150 | biostudies-literature

Benzyl 3-(2-methyl-phen-yl)dithio-carbazate.

Project description:In the title compound, C(15)H(16)N(2)S(2), the central C(2)N(2)S(2) unit is essentially planar (r.m.s. deviation = 0.047 Å) and forms dihedral angles of 68.26 (4) and 65.99 (4)° with the phenyl and benzene rings, respectively, indicating a twisted mol-ecule. Supra-molecular chains with a step topology and propagating along [100] feature in the crystal packing, mediated through N-H⋯S hydrogen bonds. The chains are consolidated into a three-dimensional architecture by C-H⋯π inter-actions.

| S-EPMC3344528 | biostudies-literature

Methyl 3-[(E)-furfuryl-idene]dithio-carbazate.

Project description:The mol-ecule of the title Schiff base compound, C(7)H(8)N(2)OS(2), prepared by the reaction of methyl dithio-carbazate and furfural in an ethanol solution under reflux, adopts an E configuration; the dithio-carbazate and furan units are located on opposite sides of the C=N double bond. The planar dithio-carbazate group is twisted slightly with respect to the furan ring, making a dihedral angle of 5.2?(1)°. Adjacent mol-ecules are linked by N-H?S hydrogen bonding to form a supra-molecular dimer across an inversion center.

| S-EPMC2961615 | 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.

| S-EPMC3344635 | biostudies-literature

Benzyl 3-[(E)-1-(pyrazin-2-yl)ethyl-idene]dithio-carbazate.

Project description:The title compound, C(14)H(14)N(4)S(2), was obtained from a condensation reaction of benzyl dithio-carbazate and acetyl-pyrazine. The asymmetric unit contains two independent mol-ecules, in each of which the pyrazine ring and dithio-carbazate unit are approximately co-planar, the r.m.s. deviations being 0.0304 and 0.0418?Å. The mean plane is oriented with respect to the benzene ring at 49.22?(4)° in one mol-ecule and at 69.76?(7)° in the other. In the crystal, the mol-ecules are linked to each other via inter-molecular N-H?S hydrogen bonds, forming centrosymmetric supra-molecular dimers.

| S-EPMC3213547 | biostudies-other

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

Project description: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].

| S-EPMC3006752 | biostudies-literature

3-{(E)-[1-(2-Hy-droxy-phen-yl)ethyl-idene]amino}-1-(2-methyl-phen-yl)thio-urea.

Project description:In the title thio-urea derivative, C(16)H(17)N(3)OS, the hy-droxy- and methyl-substituted benzene rings form dihedral angles of 9.62?(12) and 55.69?(6)°, respectively, with the central CN(3)S chromophore (r.m.s. deviation = 0.0117?Å). An intra-molecular O-H?N hydrogen bond ensures the coplanarity of the central atoms. The H atoms of the NH groups are syn and the conformation about the N=C double bond [1.295?(4)?Å] is E. In the crystal, helical supra-molecular chains sustained primarily by N-H?S hydrogen bonds are found. Additional stabilization is provided by C-H?? and ?-? [ring centroid(hy-droxy-benzene)?ring centroid(methyl-benzene) = 3.8524?(18)?Å] inter-actions.

| S-EPMC3089068 | biostudies-literature

(E)-1-(4-Methyl-phen-yl)-3-[(1-phenyl-ethyl-idene)amino]-thio-urea.

Project description:In the title compound, C(16)H(17)N(3)S, the amino-thio-urea unit is nearly planar (r.m.s. deviation = 0.0425?Å), and is twisted with respect to the tolyl and phenyl rings by 57.84?(7) and 15.88?(14)°, respectively; the tolyl and phenyl rings are twisted by 65.64?(11)° to each other. Inter-molecular N-H?S and weak C-H?S hydrogen bonds are present in the crystal structure.

| S-EPMC3120285 | 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

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data