Browse
Submit Data
Databases
API
Help

Dataset Information

39 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(3,4-Dichloro-phen-yl)thio-urea.

ABSTRACT: In the title compound, C(7)H(6)Cl(2)N(2)S, the benzene ring and the mean plane of the thio-urea fragment [-N-C(=S)-N] make a dihedral angle of 66.77?(3)°. Inter-molecular N-H?S and N-H?Cl hydrogen bonds link the mol-ecules into a three-dimensional network.

SUBMITTER: Shi HB

PROVIDER: S-EPMC2970483 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(3,4-Dichloro-phen-yl)thio-urea.

Shi Hai-Bo HB Hu Wei-Xiao WX Lin Yan-Fang YF

Acta crystallographica. Section E, Structure reports online 20090909 Pt 10

In the title compound, C(7)H(6)Cl(2)N(2)S, the benzene ring and the mean plane of the thio-urea fragment [-N-C(=S)-N] make a dihedral angle of 66.77 (3)°. Inter-molecular N-H⋯S and N-H⋯Cl hydrogen bonds link the mol-ecules into a three-dimensional network. ...[more]

PMID: 21577864

Similar Datasets

3-Acetyl-1-(2,3-dichloro-phen-yl)thio-urea.

Project description:In the crystal structure of the title compound, C(9)H(8)Cl(2)N(2)OS, there are two mol-ecules in the asymmetric unit which are connected by a pair of N-H?S hydrogen bonds. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation of each molecule.

| S-EPMC3414287 | 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

1-(2,6-Dichloro-benzo-yl)-3-(3-methoxy-phen-yl)thio-urea.

Project description:The two aromatic rings in the title compound, C(15)H(12)Cl(2)N(2)O(2)S, enclose a dihedral angle of 37.49?(6)°. 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. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, mol-ecules are connected by N-H?O and N-H?S hydrogen bonds, forming chains running along the a axis.

| S-EPMC2968058 | biostudies-literature

1-Benzoyl-3-(4-chloro-phen-yl)thio-urea dichloro-methane hemisolvate.

Project description:In the title hemisolvate, C14H11ClN2OS·0.5CH2Cl2, an anti disposition is found for the thione and ketone atoms, as well as the N-H H atoms; the dichloro-methane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0.021 Å) owing to the presence of an intra-molecular N-H⋯O hydrogen bond, which closes an S(6) loop. Significant twists are evident in the mol-ecule, the dihedral angles between the central moiety and the phenyl and benzene rings being 29.52 (7) and 40.02 (7)°, respectively. In the crystal, eight-membered {⋯HNC= S}2 synthons with twofold symmetry form via N-H⋯S hydrogen bonds. The dimers are connected into a supra-molecular chain along [111] by C-H⋯O inter-actions. The chains stack along the c axis, forming columns which define channels in which the occluded dichloro-methane mol-ecules reside.

| S-EPMC3588922 | biostudies-literature

1-(2,6-Dichloro-benzo-yl)-3-(3,5-dichloro-phen-yl)thio-urea.

Project description:The crystal structure of the title compound, C(14)H(8)Cl(4)N(2)OS, is composed of discrete mol-ecules with bond lengths and angles quite typical for thio-urea compounds of this class. The plane containing the central SONNCC atom set subtends a dihedral angle of 31.47?(3)° with the benzene ring. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the mol-ecules form centrosymmetric dimers via inter-molecular N-H?S hydrogen bonds.

| S-EPMC2968087 | biostudies-other

1-(2,6-Dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea trichloro-methane hemisolvate.

Project description:The title compound, C(14)H(6)Cl(6)N(2)OS·0.5CHCl(3), crystallizes with four 1-(2,6-dichloro-benzo-yl)-3-(2,3,5,6-tetra-chloro-phen-yl)thio-urea mol-ecules and two trichloro-methane mol-ecules in the asymmetric unit. The thiourea molecules exist in the solid state in their thione forms with typical thio-urea C-S and C-O bonds lengths, as well as shortened C-N bonds. The -NH-C(=S)-NH-C(=O)- plane is almost perpen-dicular to the benzene ring in each thiourea molecule. Intra-molecular N-H?O hydrogen bonds stabilize the mol-ecular conformation and inter-molecular N-H?S hydrogen bonds stabilize the packing arrangement.

| S-EPMC2968195 | biostudies-literature

3-Acetyl-1-(2,6-dichloro-phen-yl)thio-urea.

Project description:In the title compound, C(9)H(8)Cl(2)N(2)OS, the conformation of one of the N-H bonds is anti to the C=S group and the other is anti to the C=O group. Further, the conformations of the amide C=S and the C=O group are anti to each other. The 2,6-dichloro-phenyl ring and the 3-acetyl-thio-urea side chain are inclined to one another at a dihedral angle of 83.44?(5)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form inversion dimers through pairs of N-H?S hydrogen bonds.

| S-EPMC3414177 | biostudies-other

2,4-Dichloro-N-(3,4-dichloro-phen-yl)benzene-sulfonamide.

Project description:In the crystal structure of the title compound, C(12)H(7)Cl(4)NO(2)S, the conformation of the N-H bond is syn to the meta-chloro residue in the aniline benzene ring. The two aromatic rings are tilted relative to each other by 68.9?(1)°. N-H?O hydrogen bonds connect the mol-ecules into centrosymmetric dimers.

| S-EPMC2977279 | biostudies-literature

N-(3,4-Dichloro-phen-yl)maleamic acid.

Project description:The asymmetric unit of the title compound, C(10)H(7)Cl(2)NO(3), contains two unique mol-ecules, both being stabilized by an intra-molecular O-H⋯O hydrogen bond within their maleamic units. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains extending along [1] which are further assembled into sheets via short inter-molecular C-Cl⋯O=C contacts [3.102 (2) and 3.044 (2) Å].

| S-EPMC3007083 | biostudies-literature

1-(3-Chloro-phen-yl)-3-(2,6-dichloro-benzo-yl)thio-urea.

Project description:The structure of the title compound, C(14)H(9)Cl(3)N(2)OS, is composed of discrete mol-ecules with bond lengths and angles quite typical for thio-urea compounds of this class. The plane containing the thio-carbonyl and carbonyl groups subtends dihedral angles of 48.19?(3) and 87.51?(3)° with the planes formed by the 3-chloro and 2,6-dichloro-phenyl rings, respectively; the dihedral angle between the two benzene ring planes is 45.32?(3)°. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation and the mol-ecules form inter-molecular N-H?S and N-H?O hydrogen bonds, generating a sheet along the a axis.

| S-EPMC2968411 | biostudies-other

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