Browse
Submit Data
Databases
API
Help

Dataset Information

4 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the title compound, C11H8Cl2N2OS, the mean plane of the di-chloro-phenyl ring is twisted by 72.4?(1)° from that of the thia-zole ring. In the crystal, mol-ecules are linked via pairs of N-H?N hydrogen bonds with an R 2 (2)(8) graph-set motif and weak C-H?O inter-actions, forming inversion dimers which stack along the c-axis direction.

SUBMITTER: Nayak PS

PROVIDER: S-EPMC3647853 | biostudies-other | 2013 May

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

Nayak Prakash S PS Narayana B B Yathirajan H S HS Jasinski Jerry P JP Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20130405 Pt 5

In the title compound, C11H8Cl2N2OS, the mean plane of the di-chloro-phenyl ring is twisted by 72.4 (1)° from that of the thia-zole ring. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds with an R 2 (2)(8) graph-set motif and weak C-H⋯O inter-actions, forming inversion dimers which stack along the c-axis direction. ...[more]

PMID: 23723819

Similar Datasets

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-(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

2-(2,6-Dichloro-phen-yl)-N-(1,3-thia-zol-2-yl)acetamide.

Project description:In the title compound, C11H8Cl2N2OS, the mean plane of the dichloro-phenyl ring is twisted by 79.7?(7)° from that of the thia-zole ring. In the crystal, molecules are linked via pairs of N-H?N hydrogen bonds, forming inversion dimers which stack along the a-axis direction.

| S-EPMC3629579 | biostudies-literature

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

Project description:In the title compound, C(11)H(9)FN(2)OS, the 1,3-thia-zole ring is planar (r.m.s. deviation = 0.007?Å) and forms a dihedral angle of 73.75?(5)° with the benzene ring. In the crystal, mol-ecules are linked via pairs of N-H?N and C-H?F hydrogen bonds into chains along [100].

| S-EPMC3415006 | biostudies-literature

N-(1,3-Thia-zol-2-yl)-2-(2,4,6-trimethyl-phen-yl)acetamide.

Project description:In the title compound, C(14)H(16)N(2)OS, the thia-zole ring is essentially planar (r.m.s. deviation = 0.005 Å) and it forms a dihedral angle of 75.21 (8)° with the benzene ring. In the crystal, mol-ecules are linked into inversion dimers by pairs of N-H⋯N hydrogen bonds to generate R(2) (2)(8) loops.

| S-EPMC3414917 | biostudies-literature

N-(5-Chloro-1,3-thia-zol-2-yl)-2,4-difluoro-benzamide.

Project description:The title compound, C(10)H(5)ClF(2)N(2)OS, was obtained by linking an amino heterocycle and a substituted benzoyl chloride. The dihedral angle between the two rings is 41.2?(2)° and the equalization of the amide C-N bond lengths reveals the existence of conjugation between the benzene ring and the thia-zole unit. In the crystal, pairs of N-H?N hydrogen bonds link mol-ecules into inversion dimers. Non-classical C-H?F and C-H?O hydrogen bonds stabilize the crystal structure.

| S-EPMC3379424 | biostudies-literature

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

Project description:The title compound, C9H8N2OS, crystallizes with two mol-ecules (A and B) in the asymmetric unit. The dihedral angles between the mean planes of the 1,3-benzo-thia-zol-2-yl ring system and the acetamide group are 2.7?(4) (mol-ecule A) and 7.2?(2)?Å (mol-ecule B). In the crystal, pairs of N-H?N hydrogen bonds link the A and B mol-ecules into dimers, generating R 2 (2)(8) loops. The dimers stack along [100].

| S-EPMC3884296 | 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?? inter-actions, leading to a three-dimensional network.

| S-EPMC3770393 | biostudies-literature

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

Project description:In the title mol-ecule, C(17)H(14)N(2)OS, the mean plane of the acetamide group forms dihedral angles of 75.79?(5), 81.85?(6) and 12.32?(5)° with the two phenyl rings and the thia-zole ring, respectively. In the crystal, N-H?N hydrogen bonds link pairs of mol-ecules into inversion dimers with R(2) (2)(8) ring motifs. The crystal packing is further stabilized by C-H?? inter-actions and by ?-? inter-actions with a centroid-centroid distance of 3.6977?(5)?Å.

| S-EPMC3344455 | biostudies-literature

N-(4-Chloro-1,3-benzothia-zol-2-yl)-2-(3-methyl-phen-yl)acetamide monohydrate.

Project description:In the title compound, C(16)H(13)ClN(2)OS·H(2)O, the dihedral angle between the mean planes of the benzothia-zole ring system and the methylphenyl ring is 79.3?(6)°. The crystal packing features inter-molecular O-H?N, O-H?O and N-H?O hydrogen bonds involving the water mol-ecule and weak C-H?O, C-H?Cg and ?-? stacking inter-actions [centroid-centroid distances = 3.8743?(7), 3.7229?(7) and 3.7076?(8)?Å].

| S-EPMC3201351 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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