Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Methyl 3-(2-furyl-methyl-idene)carbazate.

ABSTRACT: The asymmetric unit of the title compound, C(7)H(8)N(2)O(3), contains two approximately planar mol-ecules (r.m.s. deviations = 0.058 and 0.070?Å). In the crystal, mol-ecules are linked into [010] chains by way of alternating N-H?O and N-H?(N,O) hydrogen-bond linkages.

SUBMITTER: Li YF

PROVIDER: S-EPMC3050254 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Methyl 3-(2-furyl-methyl-idene)carbazate.

Li Yu-Feng YF

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

The asymmetric unit of the title compound, C(7)H(8)N(2)O(3), contains two approximately planar mol-ecules (r.m.s. deviations = 0.058 and 0.070 Å). In the crystal, mol-ecules are linked into [010] chains by way of alternating N-H⋯O and N-H⋯(N,O) hydrogen-bond linkages. ...[more]

PMID: 21522775

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

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

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

Methyl 3-(pyridin-4-yl-methyl-idene)di-thio-carbazate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title mol-ecule, C8H9N3S2, both of which exhibit an E conformation with the pyridine ring and di-thio-carbazate fragment located on opposite sides of the C=N bond. The pyridine ring and di-thio-carbazate group are approximately coplanar, with dihedral angles of 4.74?(1) and 8.77?(1)° between their planes in the two mol-ecules. In the crystal, mol-ecules are linked to each other via N-H?N hydrogen bonds, forming zigzag chains parallel to [10-1].

| S-EPMC3648245 | 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

(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-[(E)-(2-hy-droxy-1-naphth-yl)methyl-idene]carbazate.

Project description:The title compound, C(13)H(12)N(2)O(3), has an E configuration with respect to the C=N bond: the conformation is stabilized by an intramolecular O-H?N hydrogen bond. In the crystal, an N-H?O interaction links the molecules into a C(4) chain along [100].

| S-EPMC3011666 | biostudies-literature

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

(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

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