Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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].

SUBMITTER: Al-Abbasi AA

PROVIDER: S-EPMC3239051 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Al-Abbasi Aisha A AA Mohamed Tahir Mohamed Ibrahim MI Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

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]. ...[more]

PMID: 22199899

Similar Datasets

3-(3-Meth-oxy-benzo-yl)-1,1-diphenyl-thio-urea.

Project description:The thiono and carbonyl groups in the title compound, C(21)H(18)N(2)O(2)S, adopt an anti disposition with respect to the central C-N bond. The diphenyl-amine rings are twisted relative to each other by a dihedral angle of 82.55?(10)°. The 3-meth-oxy-benzoyl fragment is twisted relative to one of the diphenyl-amine rings, forming a dihedral angle of 74.04?(9)°. In the crystal, pairs of inter-molecular N-H?S hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming columns parallel to the a axis.

| S-EPMC3212333 | biostudies-other

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

Project description: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.

| S-EPMC3588307 | biostudies-literature

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

1,1-Dibenzyl-3-(4-fluoro-benzo-yl)thio-urea.

Project description:In the title compound, C(22)H(19)FN(2)OS, the 2-fluoro-benzoyl group adopts a trans conformation with respect to the thiono S atom across the N-C bond. In the crystal, inter-molecular N-H?S, C-H?S and C-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (101).

| S-EPMC3213443 | 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-Dibenzyl-3-(3-chloro-benzo-yl)thio-urea.

Project description:In the title compound, C(22)H(19)ClN(2)OS, the thiono and carbonyl groups are trans positioned with respect to a partially double C-N bond. The amide group is twisted relative to the thio-urea fragment, forming a dihedral angle of 46.75?(11)°. In the crystal, inter-molecular N-H?S and C-H?O hydrogen bonds link the mol-ecules into a one-dimensional polymeric structure parallel to the c axis.

| S-EPMC3151829 | biostudies-other

N-(2,2-Dimethyl-propano-yl)-N'-(2-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(13)H(18)N(2)O(2)S, the carbonyl-thio-urea fragment is nearly planar with an r.m.s. deviation of 0.0096?Å. The dihedral angle between carbonyl-thio-urea group and the benzene ring is 19.16?(16)°. There are two intra-molecular N-H?O hydrogen bonds, which lead to two pseudo-six-membered rings. Weak intra-molecular C-H?S hydrogen bonding also occurs.

| S-EPMC3344075 | 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

4-Hy-droxy-2-[(4-iodo-benzo-yl)meth-yl]-3-(3-meth-oxy-benzo-yl)-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title mol-ecule, C(24)H(18)INO(6)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381?(5) and -0.449?(5)?Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550?(2)?Å, ? = 61.7?(2)° and ? = 31.4?(3)°. The conformation is stabilized by an intra-molecular O-H?O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18?(4)°], with a separation of 3.754?(2)?Å between the centres of gravity of the two rings, indicating strong ?-? inter-actions.

| S-EPMC3008120 | biostudies-literature

1-(2-Hy-droxy-eth-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

Project description:In the title compound, C(10)H(14)N(2)O(3)S, the 3-meth-oxy-phenyl unit is almost planar, with an r.m.s. deviation of 0.013 Å. The dihedral angle between the benzene ring and the plane of the thio-urea unit is 62.57 (4)°. In the crystal, N-H⋯O and O-H⋯S hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC2983277 | 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