Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Chloro-benzo-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

ABSTRACT: The title compound, C15H13ClN2O2S, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

SUBMITTER: Rauf MK

PROVIDER: S-EPMC3588307 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(2-Chloro-benzo-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Rauf M Khawar MK Ebihara Masahiro M Badshah Amin A

Acta crystallographica. Section E, Structure reports online 20121205 Pt 1

The title compound, C15H13ClN2O2S, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths as well as shortened C-N bonds. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers. ...[more]

PMID: 23476406

Similar Datasets

N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(17)H(17)ClN(2)O(3)S, the central carbonyl-thio-urea unit is nearly planar [maximum atomic deviation = 0.019 (3) Å] and makes dihedral angles of 2.47 (7) and 17.76 (6)° with the terminal benzene rings. An intra-molecular N-H⋯O hydrogen bond occurs. Weak inter-molecular C-H⋯S and C-H⋯Cl hydrogen bonding is observed in the crystal structure.

| S-EPMC3051694 | biostudies-literature

1-(2-Chloro-benzo-yl)-3-[4-(trifluoro-meth-oxy)phen-yl]urea.

Project description:The title compound, C(15)H(10)ClF(3)N(2)O(3), is considered to belong to a fourth generation of insecticides with properties such as high selectivity, low acute toxicity for mammals and high biological activity. The dihedral angle between the two benzene rings is 59.3 (2)°. Intra-molecular C-H⋯O and N-H⋯O hydrogen bonds are observed. Inter-molecular N-H⋯O hydrogen bonding generates a centrosymmetric dimer. The F atoms are disordered over two positions; the site occupancy factors are 0.52 and 0.48.

| S-EPMC2961706 | biostudies-literature

1,3-Bis(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(15)H(16)N(2)O(2)S, the N-C(=S) bond lengths are indicative of the presence of amide-type resonance. The dihedral angles between the thio-urea unit and the attached aromatic rings are 59.80 (5) and 73.41 (4)° while the dihedral angle between the rings is 56.83 (4)°. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds occur. An N-H⋯π inter-action is observed for the second amino group. The shortest centroid-centroid distance between two aromatic systems is 4.0958 (8) Å.

| S-EPMC3247619 | biostudies-literature

1,1-Diethyl-3-(4-meth-oxy-benzo-yl)thio-urea.

Project description:In the title compound, C(13)H(18)N(2)O(2)S, the 4-meth-oxy-benzoyl fragment is approximately planar [maximum deviation = 0.057?(2)?Å] and twisted relative to the thio-amide fragment, forming a dihedral angle of 86.62?(6)°. The two Csp(2)-Nsp(2) bonds in the thio-urea unit differ significantly in length [1.327?(2) and 1.431?(2)?Å]. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains parallel to [010].

| S-EPMC3239051 | biostudies-literature

1-(3-Chloro-benzo-yl)-3-(2,3-dimethyl-phen-yl)thio-urea.

Project description:The title mol-ecule, C(16)H(15)ClN(2)OS, exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and inter-molecular N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers. The dihedral angle between the aromatic rings is 50.18?(5)°.

| S-EPMC2968148 | biostudies-literature

1-(4-Chloro-phen-yl)-3-(2,4-dichloro-benzo-yl)thio-urea.

Project description:The title compound, C(14)H(9)Cl(3)N(2)OS, has bond lengths and angles which are quite typical for thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C=S and C=O bond lengths, as well as shortened C-N bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. Inter-molecular N-H?S hydrogen bonds link the mol-ecules to form centrosymmetric dimers.

| S-EPMC2968241 | biostudies-literature

N-(4-Chloro-benzo-yl)-N'-(3-fluoro-phen-yl)thio-urea.

Project description:In the title compound, C(14)H(10)ClFN(2)OS, the mol-ecule adopts a trans-cis geometry of the thio-urea unit. The dihedral angles between the benzene rings is 34.47 (7)°. The crystal packing features inter-molecular N-H⋯S and C-H⋯O hydrogen bonds, forming a chain along the b axis. A short C-H⋯S intramolecular contact is also observed.

| S-EPMC3007896 | biostudies-literature

1-(2-Chloro-benzo-yl)-3-(2,3-dimethyl-phen-yl)thio-urea.

Project description:The dihedral angle between the two phenyl groups in the title compound, C16H15ClN2OS, is 14.88 (4)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, pairs of N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers.

| S-EPMC3589055 | biostudies-literature

1-(2-Chloro-benzo-yl)-3-(2-trifluoro-methyl-phen-yl)thio-urea.

Project description:The dihedral angle between the benzene rings in the title compound, C15H10ClF3N2OS, is 54.02?(4)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, N-H?S hydrogen bonds link the mol-ecules into inversion dimers.

| S-EPMC3588247 | biostudies-literature

1-(4-Chloro-benzo-yl)-3-(2,4,6-trichloro-phen-yl)thio-urea hemihydrate.

Project description:The asymmetric unit of the title compound, C(14)H(8)Cl(4)N(2)OS·0.5H(2)O, contains two independent mol-ecules with different conformations with respect to the aromatic ring planes, and one water mol-ecule. The bond lengths and angles are typical of thio-urea compounds of this class. The mol-ecule exists in the solid state in its thione form with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The dihedral angles between the two aromatic planes are 66.93?(8) and 60.44?(9)° in the two independent mol-ecules. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the crystal packing is characterized by N-H?O, O-H?S and O-H?Cl hydrogen bonds.

| S-EPMC2968059 | 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