Browse
Submit Data
Databases
API
Help

Dataset Information

30 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-(1H-Imidazol-1-yl)-4-[3-(trifluoro-meth-yl)phen-yl]-1,3-thia-zole.

ABSTRACT: The title compound, C(13)H(8)F(3)N(3)S, consists of three linked aromatic rings. The whole mol-ecule (except for the three F atoms) is planar to within 0.225?(2)?Å. In the crystal, adjacent mol-ecules are linked into chains along the ac diagonal by weak C-H?N inter-actions.

SUBMITTER: Kudryavtsev KV

PROVIDER: S-EPMC3569771 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-(1H-Imidazol-1-yl)-4-[3-(trifluoro-meth-yl)phen-yl]-1,3-thia-zole.

Kudryavtsev Konstantin V KV Churakov Andrei V AV Guh Jih-Hwa JH

Acta crystallographica. Section E, Structure reports online 20130116 Pt 2

The title compound, C(13)H(8)F(3)N(3)S, consists of three linked aromatic rings. The whole mol-ecule (except for the three F atoms) is planar to within 0.225 (2) Å. In the crystal, adjacent mol-ecules are linked into chains along the ac diagonal by weak C-H⋯N inter-actions. ...[more]

PMID: 23424517

Similar Datasets

2-[(1H-Imidazol-1-yl)meth-yl]-1-[4-(trifluoro-meth-yl)phen-yl]-1H-indole.

Project description:In the title compound, C(19)H(14)F(3)N(3), the dihedral angles between the mean planes of the indole ring and the 4-CF(3)-phenyl and imidazole rings are 54.95?(4) and 61.36?(7)°, respectively.

| S-EPMC3344036 | biostudies-literature

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

Project description: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.

| S-EPMC3588450 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-1H-tetra-zole.

Project description:In the title compound, C(10)H(8)N(6), the tetra-zole and benzene rings are close to being coplanar [dihedral angle = 9.90?(16)°], but the imidazole ring is rotated 37.18?(09)° out of the benzene plane. In the crystal, mol-ecules are connected through tetra-zole-imidazole N-H?N hydrogen bonds, giving rise to zigzag chains, which extend along [010].

| S-EPMC3344427 | 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

5-Chloro-N-{4-oxo-2-[4-(trifluoro-meth-yl)phen-yl]-1,3-thia-zolidin-3-yl}-3-phenyl-1H-indole-2-carboxamide.

Project description:In the title compound, C(25)H(17)ClF(3)N(3)O(2)S, the five-membered 1,3-thia-zolidine ring adopts a twist conformation. The three F atoms of the CF(3) group are disordered over two sets of sites with refined occupancies of 0.542?(18) and 0.458?(18). In the nine-membered 1H-indoline ring system, the 1H-pyrrole ring forms a dihedral angle of 4.7?(2)° with the benzene ring, while it is twisted at an angle of 46.5?(2)° with respect to the attached phenyl ring. The dihedral angle between the phenyl and trifluoro-methyl-substituted benzene rings is 56.0?(2)°. In the crystal, N-H?O hydrogen bonds connect the mol-ecules into a three-dimensional network. In addition, weak C-H?O hydrogen bonds and weak C-H?? inter-actions are observed.

| S-EPMC3470337 | biostudies-literature

2-Methyl-4-trifluoro-meth-yl-1,3-thia-zole-5-carboxylic acid.

Project description:In crystal of the title compound, C(6)H(4)F(3)NO(2)S, mol-ecules are linked by O-H?N and C-H?O hydrogen bonds, forming chains.

| S-EPMC2970299 | biostudies-other

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

(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

7'-[4-(Trifluoro-meth-yl)phen-yl]-5',6',7',7a'-tetra-hydrodispiro-[indan-2,5'-pyrrolo-[1,2-c][1,3]thia-zole-6',2''-indan]-1,3,1''-trione.

Project description:In the title compound, C(29)H(20)F(3)NO(3)S, the thia-zolidine ringadopts a half-chair conformation. The pyrrolidine and two five-membered carbocyclic rings are in envelope conformations with the spiro C atoms at the flaps. The trifluoro-methyl-substituted benzene ring forms dihedral angles of 62.37 (14) and 87.40 (14)° with the benzene rings of the dihydro-1H-indene units. The two benzene rings form a dihedral angle of 36.94 (15)°. The mol-ecular structure is stabilized by intra-molecular C-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal, mol-ecules are linked into inversion dimers by pairs of inter-molecular C-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs.

| S-EPMC3238947 | biostudies-literature

5-[4-(1H-Imidazol-1-yl)phen-yl]-2H-tetra-zole dihydrate.

Project description:In the title compound, C(10)H(8)N(6)·2H(2)O, the central aromatic ring makes dihedral angles of 23.59?(15) and 16.99?(16)° with the terminal imidazole and tetra-zole rings, respectively, which are themselves almost coplanar [dihedral angle = 6.61?(18)°]. Two H atoms of the two water mol-ecules are half occupied. In the crystal packing, weak inter-molecular O-H?N, O-H?O and N-H?N hydrogen bonds and ?-? stacking inter-actions [centroid-centroid distances of 3.73?(4)?Å between benzene rings and 3.66?(3)?Å between imidazole and tetra-zole rings] are observed.

| S-EPMC3120333 | 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