Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C(14)H(14)N(2)O(2)S, the dihedral angles between the thio-urea group and the methoxyphenyl and hydroxyphenyl rings are 61.91?(4) and 76.90?(4)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 71.03?(4)°. The H atoms of the thio-urea NH groups are positioned anti to each other. In the crystal, inter-molecular N-H?S, N-H?O and O-H?S hydrogen bonds link the mol-ecules into a three-dimensional network.

SUBMITTER: Choi H

PROVIDER: S-EPMC3275270 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Choi Hyeong H Shim Yong Suk YS Han Byung Hee BH Kang Sung Kwon SK Sung Chang Keun CK

Acta crystallographica. Section E, Structure reports online 20120131 Pt 2

In the title compound, C(14)H(14)N(2)O(2)S, the dihedral angles between the thio-urea group and the methoxyphenyl and hydroxyphenyl rings are 61.91 (4) and 76.90 (4)°, respectively. The benzene rings are twisted with respect to each other, making a dihedral angle of 71.03 (4)°. The H atoms of the thio-urea NH groups are positioned anti to each other. In the crystal, inter-molecular N-H⋯S, N-H⋯O and O-H⋯S hydrogen bonds link the mol-ecules into a three-dimensional network. ...[more]

PMID: 22347126

Similar Datasets

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

1-(2-Hy-droxy-2-phenyl-eth-yl)-3-(4-meth-oxy-phen-yl)urea.

Project description:In the title compound, C(16)H(18)N(2)O(3), the dihedral angle between the 4-meth-oxy-phenyl ring and the urea group is 35.6?(2) °. The H atoms of the urea NH groups are positioned syn to each other. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a two-dimensional array in the ac plane; the carbonyl-O atom is trifurcated.

| S-EPMC3201395 | biostudies-literature

1-[3-(Hy-droxy-meth-yl)phen-yl]-3-phenyl-urea.

Project description:In the title compound, C(14)H(14)N(2)O(2), the dihedral angle between the benzene rings is 23.6?(1)°. The H atoms of the urea NH groups are positioned syn to each other. In the crystal, inter-molecular N-H?O and O-H?O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC3213536 | biostudies-literature

Methyl (E)-2-({2-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

Project description:In the title compound, C(18)H(17)NO(4), the hy-droxy-ethanimine group is essentially coplanar with the ring to which it is attached [C-C-N-O torsion angle = 179.94?(14)°]. The mol-ecules are linked into cyclic centrosymmetric R(2) (2)(6) dimers via O-H?N hydrogen bonds and the crystal packing is further stabilized by C-H?O inter-actions.

| S-EPMC3295410 | biostudies-literature

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-Benzoyl-3-(4-hy-droxy-phen-yl)thio-urea.

Project description:In the title compound, C(14)H(12)N(2)O(2)S, the amino-phenol and the benzoyl groups adopt a syn-anti configuration with respect to the thiono C=S group across the thio-urea C-N. The dihedral angle between the mean planes of the benzoyl and hy-droxy-phenyl rings is 36.77?(8)°. The mol-ecules are stabilized by intra-molecular N-H?O hydrogen bonds. In the crystal, weak inter-molecular C-H?O, O-H?S and N-H?O hydrogen bonds link the mol-ecules into a chain along the c axis.

| S-EPMC3011591 | 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

(E)-Methyl 2-({2-eth-oxy-6-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

Project description:In the title compound, C(20)H(21)NO(5), the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Å for the O atom. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers with an R(2) (2)(6) motif via pairs of O-H⋯N hydrogen bonds. Inter-molecular C-H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C-H⋯π inter-actions.

| S-EPMC3344504 | biostudies-literature

3-[2-Hy-droxy-3-(2,4,6-trimethyl-phen-yl)prop-yl]-3-methyl-1-phenyl-thio-urea.

Project description:In the title compound, C(20)H(26)N(2)OS, four non-H atoms of the thio-urea unit are approximately planar (r.m.s. deviation = 0.005?Å); the phenyl and benzene rings are twisted out of this plane by 28.55?(7) and 60.00?(7)°, respectively. An intra-molecular N-H?O hydrogen bond occurs. The hy-droxy group is hydrogen bonded to the double-bond S atom of an inversion-related mol-ecule, generating a hydrogen-bonded dimer in the crystal structure.

| S-EPMC3089238 | biostudies-literature

2-{Hy-droxy[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]meth-yl}acrylonitrile.

Project description:In the title compound, C(20)H(18)N(2)O(3), the β-lactam ring is essentially planar, having a maximum deviation of 0.0291 (15) Å for the N atom, and perpendicular to the phenyl ring [dihedral angle = 85.55 (11)°]. The carbonitrile side chain is almost linear, the C-C-N angle being 176.8 (2)°. The crystal packing is stabilized by inter-molecular O-H⋯O and C-H⋯O inter-actions.

| S-EPMC3200613 | 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