Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3-Methyl-thio-benzamide.

ABSTRACT: In the title compound, C(8)H(9)NS, the dihedral angle between the aromatic ring and the thio-amide fragment is 36.0?(2)°. There are ?-stacking inter-actions between coplanar aryl fragments, with a centroid-centroid separation of 3.658?(2)?Å. In addition, there are inter-molecular hydrogen bonds between the amino group and the S atoms.

SUBMITTER: Khan MU

PROVIDER: S-EPMC2969531 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

3-Methyl-thio-benzamide.

Khan Mahmood-Ul-Hassan MU Hameed Shahid S Akhtar Tashfeen T Masuda Jason D JD

Acta crystallographica. Section E, Structure reports online 20090529 Pt 6

In the title compound, C(8)H(9)NS, the dihedral angle between the aromatic ring and the thio-amide fragment is 36.0 (2)°. There are π-stacking inter-actions between coplanar aryl fragments, with a centroid-centroid separation of 3.658 (2) Å. In addition, there are inter-molecular hydrogen bonds between the amino group and the S atoms. ...[more]

PMID: 21583284

Similar Datasets

3-({[Bis(2-methyl-prop-yl)carbamo-thio-yl]amino}-carbon-yl)benzamide.

Project description:In the title compound, C17H25N3O2S, the terminal and central amide groups are, respectively, twisted and coplanar with the attached benzene ring [O-C-C-C torsion angles = 22.7?(3) and 5.4?(3)°]. In the central part of the mol-ecule, the amide and thio-amide residues are approximately perpendicular [C-N-C-S torsion angle = -104.98?(18)°]. Supra-molecular layers with a zigzag topology are formed in the crystal packing by N-H?O, N-H?S and C-H?O inter-actions; these stack along c, being separated by hydro-phobic inter-actions.

| S-EPMC3770438 | biostudies-literature

4-Bromo-thio-benzamide.

Project description:The title compound, C(7)H(6)BrNS, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the aromatic ring and the thio-amide fragment are 23.6?(4) and 20.5?(3)° in the two mol-ecules. In the crystal, there are inter-molecular N-H?S hydrogen-bonding inter-actions between the amine group and the S atoms.

| S-EPMC2969588 | biostudies-literature

N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-2-methyl-benzamide.

Project description:The title compound, C13H18N2O2S, adopts a cis conformation between the methyl-benzoyl and thiono groups across their thio-urea C-N bond. However, the methyl-benzoyl group and N2CS thio-urea moiety are twisted by 15.03?(3)°. In the molecule there is an N-H?O hydrogen bond. In the crystal, mol-ecules are linked by O-H?O inter-actions, generating chains extending along the c-axis direction.

| S-EPMC4011282 | biostudies-literature

4-Chloro-N-[N-(6-methyl-2-pyrid-yl)car-bamo-thio-yl]benzamide.

Project description:In the title compound, C(14)H(12)ClN(3)OS, the short exocyclic N-C bond lengths indicate resonance in the thiourea part of the mol-ecule. The title compound is stabilized by an intra-molecular N-H⋯N hydrogen bond, which results in the formation of a six-membered ring. In addition, it shows a synperiplanar conformation between the thio-carbonyl group and the pyridine group. Inter-molecular N-H⋯S and C-H⋯O inter-actions are also present.

| S-EPMC2967990 | biostudies-literature

Crystal structure of 2-methyl-N-[(4-methyl-pyridin-2-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C15H15N3OS, there is an intra-molecular N-H?O hydrogen bond and an intra-molecular C-H?S hydrogen bond involving the C=O and C=S bonds which lie on opposite sides of the mol-ecule. The mol-ecule is non-planar with the benzene and pyridine rings being inclined to one another by 26.86?(9)°. In the crystal, mol-ecules are linked by pairs of N-H?S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H?S hydrogen bonds, forming slabs parallel to the bc plane.

| S-EPMC4420090 | biostudies-other

4-Methyl-N-[2-(pyridin-2-yl)ethyl-carbamo-thio-yl]benzamide.

Project description:In the title compound, C16H17N3OS, the dihedral angle between the planes of the benzene and pyridine rings is 71.33?(15)°. An intra-molecular N-H?O hydrogen bond is present. In the crystal, weak aromatic C-H?O hydrogen bonds link the mol-ecules into chains extending along a.

| S-EPMC4158510 | biostudies-other

Crystal structure of 2-methyl-N-{[2-(pyri-din-2-yl)eth-yl]carbamo-thio-yl}benzamide.

Project description:In the title compound, C16H17N3OS, a benzoyl thio-urea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intra-molecular N-H⋯O hydrogen bond present forming an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C-H⋯S hydrogen bonds. The dimers are linked via C-H⋯π inter-actions, forming ribbons along [010].

| S-EPMC4555406 | biostudies-literature

Spleen vs 2-Methyl-thio-ATP Treated B cell

Project description:total RNA from mouse (male c57BL/6) spleen labeled with Cy3 vs total RNA from mouse (male c57BL/6) B cells treated with 2-Methyl-thio-ATP labeled with Cy5- time course with repeats Keywords: ordered

2003-04-14 | GSE370 | GEO

N-Methyl-3,5-dinitro-benzamide.

Project description:The asymmetric unit of the title compound, C(8)H(7)N(3)O(5), contains two independent mol-ecules in which the amide plane is oriented at dihedral angles of 29.82?(2) and 31.17?(2)° with respect to the benzene ring. In the crystal, mol-ecules are connected via inter-molecular N-H?O hydrogen bonds, forming chains running along the b axis.

| S-EPMC3254543 | biostudies-literature

2-(Methyl-sulfin-yl)benzamide.

Project description:In the crystal of the title compound, C(8)H(9)NO(2)S, synthesized by the oxidation of 2-(methyl-sulfan-yl)benzamide using NaOCl with 2,2,6,6-tetra-methyl-piperidyl-1-oxy (TEMPO) as the catalyst, mol-ecules are linked via inter-molecular N-H?O(amide) hydrogen bonds, forming centrosymmetric amide-amide dimers which are extended into a two-dimensional lamellar framework parallel to (100) through amide-sulfinyl N-H?O hydrogen bonds. The benzene ring forms a dihedral angle of 25.6?(2)° with the amide group.

| S-EPMC3011674 | 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