Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

1-(2-Amino-eth-yl)-3-phenyl-thio-urea.

ABSTRACT: In the crystal structure of the title compound, C(9)H(13)N(3)S, mol-ecules are linked through N-H?S and N-H?N hydrogen bonds, forming hydrogen-bonded tapes along the b axis. The dihedral angle between the phenyl ring and the thiourea group is 44.9?(2)°.

SUBMITTER: Pansuriya P

PROVIDER: S-EPMC3201383 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

1-(2-Amino-eth-yl)-3-phenyl-thio-urea.

Pansuriya Pramod P Friedrich Holger B HB Maguire Glenn E M GE

Acta crystallographica. Section E, Structure reports online 20110914 Pt 10

In the crystal structure of the title compound, C(9)H(13)N(3)S, mol-ecules are linked through N-H⋯S and N-H⋯N hydrogen bonds, forming hydrogen-bonded tapes along the b axis. The dihedral angle between the phenyl ring and the thiourea group is 44.9 (2)°. ...[more]

PMID: 22058765

Similar Datasets

1-(2-Hy-droxy-eth-yl)-3-phenyl-thio-urea.

Project description:The title compound, C(9)H(12)N(2)OS, was obtained unexpectedly in a multicomponent reaction of an equimolar ratio of phenyl isothio-cyanate, malononitrile and amino-ethanol. The -C(H(2))-N(H)-(C=S)-N(H)- methyl-thio-urea-methane group is almost normal to the phenyl ring, with a dihedral angle of 71.13?(9)°. The N-C-C-O torsion angle is 72.8?(2)°. In the crystal, mol-ecules are connected by N-H?O, O-H?S and N-H?O hydrogen bonds, forming a three-dimensional network.

| S-EPMC3344104 | biostudies-literature

1-{2-[(Anthracen-10-yl)methyl-ene-amino]phen-yl}-3-phenyl-thio-urea.

Project description:The title compound, C(28)H(21)N(3)S, crystallizes with two mol-ecules in the asymmetric unit. There are only very slight differences in the torsion angles between the two molecules. The two mol-ecules are stabilized by intra-molecular N-H⋯N inter-actions and the crystal packing is stabilized by inter-molecular N-H⋯S inter-actions.

| S-EPMC2960294 | biostudies-literature

1-{2-[(4-Chloro-benzyl-idene)amino]phen-yl}-3-phenyl-thio-urea.

Project description:The asymmetric unit of the title compound, C(20)H(16)ClN(3)S, contains two independent mol-ecules, A and B. In mol-ecule A, the dihedral angles between the central benzene ring and the pendant chloro-benzene and phenyl rings are 6.37?(15) and 64.79?(15)°, respectively. The corresponding values in mol-ecule B are 28.21?(14) and 82.11?(16)°, respectively. Each mol-ecule features an intra-molecular N-H?N hydrogen bond, which generates an S(5) ring. In the crystal, mol-ecules A and B form dimers, being linked by two N-H?S hydrogen bonds with graph-set notation R(2) (2)(8).

| S-EPMC3295530 | biostudies-literature

(E)-1-(4-Methyl-phen-yl)-3-[(1-phenyl-ethyl-idene)amino]-thio-urea.

Project description:In the title compound, C(16)H(17)N(3)S, the amino-thio-urea unit is nearly planar (r.m.s. deviation = 0.0425?Å), and is twisted with respect to the tolyl and phenyl rings by 57.84?(7) and 15.88?(14)°, respectively; the tolyl and phenyl rings are twisted by 65.64?(11)° to each other. Inter-molecular N-H?S and weak C-H?S hydrogen bonds are present in the crystal structure.

| S-EPMC3120285 | biostudies-literature

A monoclinic polymorph of N-eth-oxy-carbonyl-N'-(3-phenyl-1H-1,2,4-triazol-5-yl)thio-urea.

Project description:The title compound, C(12)H(13)N(5)O(2)S {systematic name: ethyl N-[N-(3-phenyl-1H-1,2,4-triazol-5-yl)carbamothio-yl]carbamate}, is a monoclinic polymorph (space group P2(1)/c) which crystallizes with three similar independent mol-ecules in the asymmetric unit. The triazole ring makes dihedral angles of 6.6 (2), 8.4 (2) and 10.6 (2)° with the phenyl ring in the three independent molecules. The structure was previously reported [Dolzhenko et al. (2010a ▶). Acta Cryst., E46, o425] as a triclinic polymorph crystallizing in space group P. Mol-ecules in both polymorphs possess two S(6) rings generated by intra-molecular N-H⋯S and N-H⋯O hydrogen bonds, resulting in similar mol-ecular geometries. However, the two polymorphs differ in the crystal packing. In contrast to the dimers of the triclinic polymorph, mol-ecules of the monoclinic polymorph are connected by inter-molecular N-H⋯S and N-H⋯N hydrogen bonds, forming pseudosymmetric trimers arranged in sheets parallel to (302).

| S-EPMC3007582 | biostudies-literature

N-(4-Chloro-butano-yl)-N'-phenyl-thio-urea.

Project description:The asymmetric unit of the title compound, C(11)H(13)ClN(2)OS, contains two independent mol-ecules. Both mol-ecules maintain a trans-cis configuration with respect to the position of the carbonyl group and the benzene ring against the thione group across the C-N bonds. The mol-ecules are stabilized by intra-molecular N-H⋯O hydrogen bonds. In the crystal, the mol-ecules are linked by inter-molecular N-H⋯S, N-H⋯O and C-H⋯S hydrogen bonds into chains along the c axis. C-H⋯π inter-actions further stabilize the crystal structure.

| S-EPMC3051517 | biostudies-literature

N-(3-Chloro-propion-yl)-N'-phenyl-thio-urea.

Project description:The title compound, C(10)H(11)ClN(2)OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C-N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N-H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R(2) (2)(8) ring motifs, and C-H.. π inter-actions.

| S-EPMC2983529 | biostudies-literature

1-(2-Nitro-phen-yl)-3-phenyl-thio-urea.

Project description:The title compound, C(13)H(11)N(3)O(2)S, was prepared by reaction of 2-nitro-benzenamine, KOH and 1-isothio-cyanato-benzene in an ethanol solution at room temperature. The dihedral angles formed between the thiourea plane and the phenyl rings are 61.9 and 31.0°. The dihedral angle between the two phenyl rings is 78.1°. In the crystal structure, there are weak inter-molecular N-H⋯S and C-H⋯S hydrogen-bonding inter-actions.

| S-EPMC2915211 | biostudies-literature

3-({[(1-Phenyl-eth-yl)sulfan-yl]methane-thio-yl}sulfan-yl)propanoic acid.

Project description:In the title compound, C(12)H(14)O(2)S(3), a chain transfer agent (CTA) used in polymerization, the dihedral angle between the aromatic ring and the CS(3) grouping is 84.20 (10)°. In the crystal, carb-oxy-lic acid inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3238997 | biostudies-literature

1-{[(Z)-Cyclo-pentyl-idene]amino}-3-phenyl-thio-urea.

Project description:The sample of the title compound, C12H15N3S, chosen for study consisted of triclinic crystals twinned by a 180° rotation about the a axis. The five-membered ring adopts a twisted conformation. The dihedral angle between the phenyl ring and the mean plane of the thio-urea unit is 78.22 (8)°. In the crystal, molecules are linked via pairs of N-H⋯S hydrogen bonds forming inversion dimers.

| S-EPMC4011296 | 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