Browse
Submit Data
Databases
API
Help

Dataset Information

22 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

N-(1,3-Thia-zol-2-yl)benzamide.

ABSTRACT: The title compound, C(10)H(8)N(2)OS, features a nonplanar mol-ecule [dihedral angle between the two aromatic rings = 43.6?(1)°]. Two mol-ecules are linked by N-H?N hydrogen bonds about a centre of inversion, giving rise to a hydrogen-bonded dimer.

SUBMITTER: Zonouzi A

PROVIDER: S-EPMC2969069 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

N-(1,3-Thia-zol-2-yl)benzamide.

Zonouzi Afsaneh A Mirzazadeh Roghieh R Rahmani Hossein H Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20090325 Pt 4

The title compound, C(10)H(8)N(2)OS, features a nonplanar mol-ecule [dihedral angle between the two aromatic rings = 43.6 (1)°]. Two mol-ecules are linked by N-H⋯N hydrogen bonds about a centre of inversion, giving rise to a hydrogen-bonded dimer. ...[more]

PMID: 21582538

Similar Datasets

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

Crystal structure of 2-fluoro-N-(1,3-thia-zol-2-yl)benzamide.

Project description:In the title compound, C10H7FN2OS, the mean plane of the central amide fragment (r.m.s. deviation = 0.048?Å) makes dihedral angles of 35.28?(8) and 10.14?(12)° with those of the fluoro-benzene and thia-zole rings, respectively. The thia-zole S and amide O atoms lie to the same side of the mol-ecule. In the crystal, pairs of N-H?N hydrogen bonds connect the mol-ecules into inversion dimers with R 2 (2)(8) motifs, and weak C-H?O inter-actions connect the mol-ecules into C(6) [001] chains. Together, the N-H?N and C-H?O hydrogen bonds generate (100) sheets.

| S-EPMC4645012 | biostudies-literature

2,4-Dichloro-N-(1,3-thia-zol-2-yl)benzamide.

Project description:In the mol-ecular structure of the title compound, C(10)H(6)Cl(2)N(2)OS, the dihedral angle between the benzene plane and the plane defined by the amide functionality is 8.6?(1)°, while the thia-zole ring plane is twisted with respect to the amide plane by 68.71?(5)°. In the crystal, pairs of inter-molecular N-H?N hydrogen-bond inter-actions connect the mol-ecules into inversion dimers. ?-? inter-actions are also observed between neighbouring thia-zole and phen-yl rings [centroid-centroid distance = 3.5905?(13)?Å] and a weak C-H?? interaction also occurs.

| S-EPMC3011524 | biostudies-other

Crystal structure of 2-nitro-N-(5-nitro-1,3-thia-zol-2-yl)benzamide.

Project description:In the title compound, C10H6N4O5S, the mean plane of the non-H atoms of the central amide fragment C-N-C(=O)-C [r.m.s. deviation = 0.0294?Å] forms dihedral angles of 12.48?(7) and 46.66?(9)° with the planes of the thia-zole and benzene rings, respectively. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds, forming chains along [001]. In addition, weak C-H?O hydrogen bonds link these chains, forming a two-dimensional network, containing R (4) 4(28) ring motifs parallel to (100).

| S-EPMC4257378 | biostudies-literature

3,5-Dinitro-N-(1,3-thia-zol-2-yl)benzamide monohydrate.

Project description:In the title compound, C(10)H(6)N(4)O(5)S·H(2)O, the thia-zole ring is twisted at a dihedral angle of 25.87?(7)° with respect to the benzene ring. The water mol-ecule is linked with the benzamide mol-ecules via N-H?O, O-H?N and O-H?O hydrogen bonds. In the crystal, ?-? stacking is observed between nearly parallel [dihedral angle = 7.02?(7)°] thia-zole and benzene rings of adjacent mol-ecules, the centroid-centroid distances being 3.7107?(9) and 3.7158?(9)?Å, respectively.

| S-EPMC3052084 | biostudies-other

Phenyl N-(1,3-thia-zol-2-yl)carbamate.

Project description:In the title compound, C(10)H(8)N(2)O(2)S, the planes of the aromatic rings are oriented at a dihedral angle of 66.69?(3)°. In the crystal structure, inter-molecular N-H?N and C-H?O inter-actions link the mol-ecules into a two-dimensional network, forming R(2) (2)(8) ring motifs. ?-? contacts between the thia-zole rings [centroid-centroid distance = 3.535?(1)?Å] may further stabilize the structure. A weak C-H?? inter-action is also found.

| S-EPMC2969196 | 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-(Biphenyl-4-yl)-1,3-thia-zol-4-yl]methanol.

Project description:In the title compound, C(16)H(13)NOS, the central benzene ring makes dihedral angles of 3.25?(7) and 41.32?(8)°, respectively, with the thia-zole and phenyl rings. In the crystal, O-H?N hydrogen bonds link the mol-ecules into a chain along the c axis. A weak C-H?O inter-action further connects the chains into a layer parallel to the ac plane.

| S-EPMC3470322 | biostudies-literature

N-(5-Nitro-1,3-thia-zol-2-yl)-4-(tri-fluoro-meth-yl)benzamide.

Project description:There are two independent and conformationally dissimilar mol-ecules (A and B) in the asymmetric unit of the title compound, C11H6F3N3O3S; the dihedral angles between the benzene and thia-zole rings are 33.8?(2)° in A and 59.7?(2)° in B. The similarity of the C-N bond lengths in the amide group [1.379?(5) and 1.358?(5)?Å for A, and 1.365?(5) and 1.363?(5)?Å for B] indicates the presence of conjugation between the two rings. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds, forming chains extending along [010]; weak N-H?Oamide inter-actions are also present in the structure.

| S-EPMC3685087 | biostudies-other

(Z)-N-{3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.

Project description:In the title compound, C(8)H(7)ClN(4)S(2), the thia-zole ring is essentially planar [r.m.s. deviation = 0.0011 (2) Å] and conformation of the thia-zolidine ring is twisted on the C-C bond. The C=N bond has a Z configuration.

| S-EPMC3238956 | 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