Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-Chloro-2-(4-meth-oxy-phen-yl)-1,3-benzo-thia-zole.

ABSTRACT: In the title compound, C14H10ClNOS, the dihedral angle between the benzothia-zole ring system and the meth-oxy-substituted benzene ring is 8.76?(16)°. In the crystal, mol-ecules are stacked in columns along the c axis and no significant inter-molecular inter-actions are observed.

SUBMITTER: Yousuf S

PROVIDER: S-EPMC3588450 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-chloro-phen-yl}(4-chloro-phen-yl)methan-one.

Project description:In the title compound, C21H13Cl2NO2S, the benzo-thia-zole ring makes dihedral angles of 0.94 (1) and 70.65 (5)° with the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring, respectively. The dihedral angle between the 4-chloro-phenyl-methanone unit and the 5-chloro-phenyl ring is 66.20 (5)°. The crystal structure consists of dimeric units generated by C-H⋯N hydrogen bonds, further linked by C-H⋯O and C-H⋯π inter-actions, leading to a three-dimensional network.

| S-EPMC3770393 | biostudies-literature

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-fluoro-phen-yl}(4-chloro-phen-yl)methanone.

Project description:The asymmetric unit of the title compound, C21H13ClFNO2S, contains two independent mol-ecules with similar conformations. In the mol-ecules, the thia-zole ring is essentially planar [maximum atomic deviations = 0.014 (4) and 0.023 (5) Å] and is oriented with respect to the fluoro-phenyl ring and chloro-phenyl rings at 9.96 (18) and 70.39 (18)° in one mol-ecule and at 7.50 (18) and 68.43 (18)° in the other; the dihedral angles between the fluoro-phenyl and chloro-phenyl rings are 64.9 (2) and 64.6 (2)°, respectively. Inter-molecular C-H⋯O and C-H⋯F hydrogen bonds stabilize the three-dimensional supra-molecular architecture. Weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.877 (3) Å] lead to a criss-cross mol-ecular packing along the c axis.

| S-EPMC3772451 | biostudies-literature

Ethyl 4-[(4-chloro-phen-oxy)meth-yl]-2-(4-nitro-phen-yl)-1,3-thia-zole-5-carboxyl-ate.

Project description:The title compound, C(19)H(15)ClN(2)O(5)S, contains two mol-ecules (A and B) in the asymmetric unit. In mol-ecule A, the dihedral angles between the thia-zole ring and the pendant chloro-benzene and nitro-benzene rings are 72.14 (15) and 3.03 (15)°, respectively. The corresponding angles for mol-ecule B are 45.56 (16) and 1.51 (14)°, respectively. In the crystal, both mol-ecules form inversion dimers linked by pairs of weak C-H⋯O inter-actions.

| S-EPMC3239066 | biostudies-literature

2-Chloro-5-chloro-meth-yl-1,3-thia-zole.

Project description:In the title compound, C(4)H(3)Cl(2)NS, the chloro-methyl C and 2-position Cl atoms lie close to the mean plane of the thia-zole ring [deviations = 0.0568?(2) and 0.0092?(1)?Å, respectively]. No classical hydrogen bonds are found in the crystal structure.

| S-EPMC3120493 | biostudies-literature

(2-(Benzo[d]thia-zol-2yl-meth-oxy)-5-chloro-phen-yl)(phen-yl)methanone.

Project description:In the title compound, C(21)H(14)ClNO(2)S, the dihedral angle between the benzothia-zole and diphenyl methanone groups is 68.6?(2)°. The crystal structure consists of dimeric units generated by C-H?N bonds, further linked by C-H?O bonds and C-H?? and ?-? inter-actions [centroid-centroiddistance = 3.856?(2)?Å], which lead to a criss-cross assembly parallel to (001).

| S-EPMC3515230 | biostudies-literature

{2-[(1,3-Benzo-thia-zol-2-yl)meth-oxy]-5-bromo-phen-yl}(phen-yl)methanone.

Project description:In the title compound, C21H14BrNO2S, the dihedral angle between the planes of the benzo-thia-zole and phenyl-methanone groups is 63.4 (2)°. In the crystal, pairs of C-H⋯N hydrogen bonds link the mol-ecules to form inversion dimers, which are further linked by C-H⋯O inter-actions into chains along the c axis. C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.863 (1) Å] further stabilize the mol-ecular assembly.

| S-EPMC3685117 | biostudies-literature

2-(4-Chloro-3-nitro-phen-yl)-4-(4-chloro-phen-yl)-1,3-thia-zole.

Project description:The title compound, C(15)H(8)Cl(2)N(2)O(2)S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the 4-chloro-3-nitro-phenyl ring and the thia-zole ring are 0.5?(1) and 7.1?(1)° and those between the 4-chloro-phenyl ring and the thia-zole ring are 7.1?(1) and 7.4?(1)° in the two mol-ecules. The crystal structure is stabilized by inter-molecular C-H?Cl and C-H?O hydrogen bonds.

| S-EPMC2971060 | biostudies-literature

(Z)-2-[Meth-oxy(phen-yl)methyl-idene]-3,4,5-trimethyl-2,3-dihydro-1,3-thia-zole.

Project description:In the title compound, C(14)H(17)NOS, the plane defined by the bridging methyl-ene C atom and its three substituents makes dihedral angles of 14.37 (8)° with the heterocycle and 26.17 (8)° with the phenyl ring, while the dihedral angle between the heterocycle and the phenyl ring is 36.29 (7)°. In the crystal, mol-ecules are linked by C-H⋯π contacts.

| S-EPMC3435672 | biostudies-literature

Crystal structure of 2-(2,5-di-meth-oxy-phen-yl)benzo[<i>d</i>]thia-zole.

Project description:The title compound, C15H13NO2S, was synthesized efficiently in the solid state by exploiting pepsin catalysis. The ring systems are nearly coplanar [inter-planar angle of 5.38 (2)°] with an associated intra-molecular S⋯O=C short contact of 2.7082 (4) Å. The packing involves C-H⋯O, C-H⋯π and π-π contacts.

| S-EPMC8983990 | biostudies-literature

5-Chloro-2-(3,4,5-trimeth-oxy-phen-yl)-1,3-benzothia-zole.

Project description:In the title compound, C(16)H(14)ClNO(3)S, the dihedral angle between the almost-planar benzothia-zole ring system [maximum deviation = 0.012?(3)?Å] and the aromatic ring of the trimeth-oxy-phenyl group is 15.56?(6)°. In the crystal, the mol-ecules are arranged into layers parallel to the bc plane, held together only by weak van der Waals forces.

| S-EPMC3470404 | 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