Browse
Submit Data
Databases
API
Help

Dataset Information

39 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zole.

ABSTRACT: In the title compound, C(14)H(17)ClN(2)S, the dihedral angle between the planes of the thia-zole and chloro-phenyl rings is 88.86 (3)°. In the crystal, inversion dimers occur, linked by pairs of N-H⋯N hydrogen bonds.

SUBMITTER: Wang YT

PROVIDER: S-EPMC2959929 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zole.

Wang Yong-Tao YT Xia Lin L Hu Ai-Xi AX Cao Gao G Xu Juan-Juan JJ

Acta crystallographica. Section E, Structure reports online 20081113 Pt 12

In the title compound, C(14)H(17)ClN(2)S, the dihedral angle between the planes of the thia-zole and chloro-phenyl rings is 88.86 (3)°. In the crystal, inversion dimers occur, linked by pairs of N-H⋯N hydrogen bonds. ...[more]

PMID: 21581324

Similar Datasets

2-Amino-4-tert-butyl-5-(4-chloro-benz-yl)thia-zol-3-ium chloride.

Project description:The title compound, C(14)H(18)ClN(2)S(+)·Cl(-), crystallizes with two formula units in the asymmetric unit. The dihedral angles between the mean planes of the chloro-phenyl and thia-zole rings are 87.8 (2) and 88.0 (2)° in the two independent mol-ecules. In the crystal, the anions and cations are connected by N-H⋯Cl hydrogen bonds.

| S-EPMC2983809 | biostudies-literature

2-[4-tert-Butyl-5-(2-chloro-benz-yl)-1,3-thia-zol-2-yl]isoindoline-1,3-dione.

Project description:In the title compound, C(22)H(19)ClN(2)O(2)S, the dihedral angle between the phenyl-ene ring and the phthalimide ring system is 4.4 (1)°. There is no hydrogen bonding or π-π stacking in the crystal structure.

| S-EPMC3009081 | biostudies-literature

2-Amino-4-tert-butyl-5-(2,4-dichloro-benz-yl)thia-zol-3-ium bromide.

Project description:The asymmetric unit of the title compound, C(14)H(17)Cl(2)N(2)S(+)·Br(-), contains one cation and two Br(-) ions with site symmetry . The dihedral angle between the planes of the thia-zol and the dichloro-phenyl rings is 77.8 (6)°. In the crystal, the ions are connected by N-H⋯Br hydrogen bonds.

| S-EPMC2983563 | biostudies-literature

(S)-4-tert-Butyl-2-(1,2,3,4-tetra-hydro-isoquinolin-3-yl)-1,3-thia-zole.

Project description:In the title compound, C(16)H(20)N(2)S, a potential tetra-hydro-isoquinoline (TIQ) thia-zole ligand, the N-containing six-membered ring of the TIQ unit adopts a half-chair conformation. There are four mol-ecules in the asymmetric unit. No classical hydrogen bonds or π-π inter-actions were found in the crystal structure.

| S-EPMC3414942 | biostudies-literature

Ethyl 2-[(tert-but-oxy-carbon-yl)amino]-thia-zole-5-carboxyl-ate.

Project description:In the crystal of the title compound, C(11)H(16)N(2)O(4)S, molecules are linked via pairs of N-H⋯N hydrogen bonds to form inversion dimers. The dimers are linked by a weak C-H⋯O interaction to form chains propagating along direction [100].

| S-EPMC3295515 | 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

1-(4-tert-Butyl-benz-yl)-2-(4-tert-butyl-phen-yl)-1H-benzimidazole.

Project description:In the mol-ecule of the title compound, C(28)H(32)N(2), the benzimidazole ring system is almost planar [maximum deviation = 0.0221 (15) Å] and forms dihedral angles of 85.86 (4) and 32.09 (6)° with the benzene rings. In the crystal structure, mol-ecules are linked into chains running parallel to the a axis by inter-molecular C-H⋯N hydrogen bonds. The methyl groups of a tert-butyl group are rotationally disordered over two positions with refined site-occupancy factors of 0.636 (4) and 0.364 (4).

| S-EPMC2971974 | biostudies-literature

(E)-2-[4-tert-Butyl-5-(2,4,5-trimethoxy-benz-yl)thia-zol-2-ylimino-meth-yl]phenol.

Project description:In the title compound, C(24)H(28)N(2)O(4)S, the dihedral angle between the phenol ring and the thia-zole ring system is 10.6 (1)°, and the trimethoxy-phenyl group is approximately perpendicular to the thia-zole ring, the dihedral angle being 84.7 (2)°. There is a strong intra-molecular hydrogen-bonding inter-action between the Schiff base and the hydr-oxy group.

| S-EPMC2915254 | biostudies-literature

5-(4-Chloro-benz-yl)-1H-tetra-zole.

Project description:In the title compound, C(8)H(7)ClN(4), the phenyl and tetra-zole rings are inclined at a dihedral angle of 67.52 (6)°. In the crystal, mol-ecules are linked by an N-H⋯N hydrogen bond into a chain structure along [010]. π-π inter-actions with centroid-centroid distances of 3.526 (1) Å between adjacent tetra-zole rings further link the chains, forming a ribbon structure.

| S-EPMC3213529 | biostudies-literature

N-(4-tert-Butyl-benz-yl)phthalimide.

Project description:The mol-ecule of the title compound [systematic name: 2-(4-tert-butyl-benz-yl)isoindoline-1,3-dione], C(19)H(19)NO(2), is V-shaped with a dihedral angle of 74.15 (7)° between the mean planes of the phthalimide unit and the benzene ring. The methyl groups of the tert-butyl substituent are disordered over two sets of positions, with an occupancy ratio of 0.700 (4):0.300 (4). In the crystal, inter-molecular C-H⋯O hydrogen bonds link adjacent mol-ecules into centrosymmetric dimers. An additional weak C-H⋯O contact, together with weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.961 (2) Å] generate a three-dimensional network.

| S-EPMC2977282 | 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