Browse
Submit Data
Databases
API
Help

Dataset Information

27 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(4-Chloro-phen-yl)-3-methyl-N-(5-methyl-thia-zol-2-yl)butanamide.

ABSTRACT: In the title compound, C(15)H(17)ClN(2)OS, the thia-zole ring, which is essentially planar with a maximum deviation of 0.044 (3) Å, makes a dihedral angle of 54.76 (8)° with the benzene ring. In the crystal, adjacent molecules related by twofold rotation symmetry are linked by pairs of N-H⋯N hydrogen bonds.

SUBMITTER: Cheng JL

PROVIDER: S-EPMC2968093 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

(2-Anilino-4-methyl-thia-zol-5-yl)(4-chloro-phen-yl)methanone.

Project description:The title compound, C(17)H(13)ClN(2)OS, crystallizes with three independent mol-ecules (A, B and C) in the asymmetric unit which differ slightly in their conformations. In mol-ecule A, the thiazole ring makes dihedral angles of 27.44?(14) and 66.05?(6)° with the phenyl and chloro-benzene rings. In mol-ecule B, the respective angles are 29.09?(10) and 47.63?(9)°, while values of 25.67?(11) and 51.01?(7)° are observed in mol-ecule C. In the crystal, N-H?N and N-H?O hydrogen bonds generate a three-dimensional network structure.

| S-EPMC3254502 | biostudies-literature

2-(4-Chloro-phen-yl)-N-(1,3-thia-zol-2-yl)acetamide.

Project description:In the title compound, C(11)H(9)ClN(2)OS, the thia-zole ring is nearly planar (r.m.s. deviation = 0.003 Å) and forms a dihedral angle of 64.18 (7)° with the bezene ring. In the crystal, inversion dimers linked by pairs of N-H⋯N(t) (t = thia-zole) hydrogen bonds generate R(2) (2)(8) loops.

| S-EPMC3435701 | biostudies-literature

{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-(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

5-(3-Chloro-phen-ylsulfan-yl)-1-methyl-3-trifluoro-methyl-1H-pyrazole-4-carbaldehyde O-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]oxime.

Project description:In the title compound, C(16)H(11)Cl(2)F(3)N(4)OS(2), the benzene ring and the thia-zole ring make dihedral angles of 83.2?(3) and 78.3?(3)°, respectively, with the pyrazole ring. The crystal packing shows S?N contacts of 3.309?(2)?Å.

| S-EPMC3254498 | biostudies-literature

2-(2-Methyl-phen-yl)-N-(1,3-thia-zol-2-yl)acetamide.

Project description:In the title compound, C12H12N2OS, the dihedral angle between the benzene and thia-zole rings is 83.5?(7)°. The acetamide group is almost coplanar with the thia-zole ring, being twisted from it by 4.2?(9)°. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers, generating R 2 (2)[8] loops; the dimers are stacked along [001].

| S-EPMC4051114 | biostudies-literature

N-[4-(4-Bromo-phen-yl)thia-zol-2-yl]-4-(piperidin-1-yl)butanamide.

Project description:In the title compound, C(18)H(22)BrN(3)OS, the piperidine ring adopts a chair conformation. The mean plane of the thia-zole ring forms dihedral angles of 23.97?(10) and 75.82?(10)° with the mean planes of its adjacent benzene and piperidine rings, respectively. An intra-molecular N-H?N hydrogen bond generates an S(7) ring motif in the mol-ecule. In the crystal, no significant inter-moelcular hydrogen bonds are observed, but a weak ?-? inter-action with a centroid-centroid distance of 3.8855?(13)?Å occurs.

| S-EPMC3379262 | biostudies-other

{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

4-{4-Methyl-2-[(meth-yl)(2-methyl-phen-yl)amino]-1,3-thia-zol-5-yl}-N-(3-methyl-phen-yl)pyrimidin-2-amine.

Project description:In the title compound, C(23)H(23)N(5)S, the thia-zole ring and pyrimidine ring are almost coplanar, making a dihedral angle of 4.02?(9)°. in the crystal, weak inter-molecular N-H?N inter-actions link pairs of molecules into centrosymmetric dimers.

| S-EPMC3051713 | biostudies-literature

4-{2-[5-(4-Chloro-phen-yl)-1-(4-fluoro-phen-yl)-1H-pyrazol-3-yl]thia-zol-4-yl}benzonitrile.

Project description:The asymmetric unit of the title compound, C(25)H(14)ClFN(4)S, contains two independent mol-ecules (A and B). Each mol-ecule consists of five rings, namely chloro-phenyl, fluoro-phenyl, 1H-pyrazole, thia-zole and benzonitrile. In mol-ecule A, the 1H-pyrazole ring makes dihedral angles of 52.54 (8), 35.96 (8) and 15.43 (8)° with respect to the attached chloro-phenyl, fluoro-phenyl and thia-zole rings. The corresponding values in mol-ecule B are 51.65 (8), 37.26 (8) and 8.32 (8)°. In the crystal, mol-ecules are linked into dimers by C-H⋯N hydrogen bonds, generating R(2) (2)(10) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the ab plane via inter-molecular weak C-H⋯N and C-H⋯F hydrogen bonds. The crystal structure is further stabilized by weak π-π inter-actions [with centroid-centroid distances of 3.4303 (9) and 3.6826 (9) Å] and weak C-H⋯π inter-actions.

| S-EPMC3007991 | 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