Browse
Submit Data
Databases
API
Help

Dataset Information

25 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

5-(4-Meth-ylphenyl)-1,3,4-thia-diazol-2-amine.

ABSTRACT: The title compound, C(9)H(9)N(3)S, was synthesized by the reaction of 4-methyl-benzoic acid and thio-semicarbazide. The thia-diazol ring adopts a planar conformation and makes a dihedral angle of 31.19?(18)° with the phenyl ring. In the crystal, mol-ecules are linked by N-H?N hydrogen bonds.

SUBMITTER: Guan JN

PROVIDER: S-EPMC2977673 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

5-(4-Meth-ylphenyl)-1,3,4-thia-diazol-2-amine.

Guan Jian-Ning JN Wan Rong R Wang Yao Y Han Feng F Xu Cheng-Zhen CZ

Acta crystallographica. Section E, Structure reports online 20090408 Pt 5

The title compound, C(9)H(9)N(3)S, was synthesized by the reaction of 4-methyl-benzoic acid and thio-semicarbazide. The thia-diazol ring adopts a planar conformation and makes a dihedral angle of 31.19 (18)° with the phenyl ring. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds. ...[more]

PMID: 21584016

Similar Datasets

5-(2,4-Dichloro-phenoxy-meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(9)H(7)Cl(2)N(3)OS, was synthesized by the reaction of 2,4-dichloro-phenoxy-acetic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and benzene rings is 21.5?(2)°. In the crystal, inter-molecular N-H?N hydrogen bonding links the mol-ecules into chains along the b axis.

| S-EPMC2977151 | biostudies-literature

5-({[(E)-Benzyl-idene-amino]-oxy}meth-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the mol-ecule of the title compound, C(10)H(10)N(4)OS, the configuration about the C=N double bond is E. The dihedral angle between the thia-diazole and benzene rings is 81.1 (1)°. In the crystal, mol-ecules are linked by N-H⋯N and C-H⋯O hydrogen bonds to form a two-dimensional network parallel with the bc plane.

| S-EPMC3295532 | biostudies-literature

2-(4-Fluoro-benzyl-idene)-N-(4-meth-oxy-benzylidene)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(16)H(12)FN(3)OS, was synthesized by the reaction of 5-(4-meth-oxy-phen-yl)-1,3,4-thia-diazol-2-amine and 4-fluoro-benzaldehyde. An intra-molecular C-H⋯S hydrogen bond results in the formation of two five-membered rings. In the crystal structure, inter-molecular C-H⋯N hydrogen bonding links the mol-ecules, forming a two-dimensional network.

| S-EPMC3007009 | biostudies-literature

5-(3-Pyrid-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(7)H(6)N(4)S, was synthesized by reacting pyridine-3-carboxylic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and pyridine rings is 32.42?(14)°. In the crystal structure, inter-molecular N-H?N inter-actions link the mol-ecules into a three-dimensional network, forming R(2) (2)(8) ring motifs. ?-? contacts between thia-diazole rings [centroid-centroid distance = 3.666?(1)?Å] may further stabilize the structure.

| S-EPMC2969629 | biostudies-literature

5-(4-Pyrid-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(7)H(6)N(4)S, was synthesized by reacting pyridine-4-carboxylic acid and thio-semicarbazide. The asymmetric unit contains two independent mol-ecules, which present different conformations, the dihedral angles between the thia-diazole and pyridine rings being 18.2 (2) and 30.3 (2)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds involving the amine groups as donors link mol-ecules into a two-dimensional framework.

| S-EPMC2977777 | biostudies-literature

5-({3-[(5-Amino-1,3,4-thia-diazol-2-yl)sulfanylmeth-yl]benz-yl}sulfan-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(12)H(12)N(6)S(4), the two terminal thia-diazole rings are twisted with respect to the central benzene ring, making dihedral angles of 54.28?(4) and 76.56?(3)°. The dihedral angle between the two thia-diazole rings is 27.77?(4)°. Inter-molecular N-H?N hydrogen bonds stabilize the crystal packing, linking the mol-ecules into a tape along the b axis.

| S-EPMC3344171 | biostudies-literature

5-Meth-oxy-1,3,4-thia-diazol-2(3H)-one.

Project description:The three mol-ecules in the asymmetric unit of the title compound, C(3)H(4)N(2)O(2)S, are connected via N-H?O hydrogen bonds, forming layers normal to [001]. The rings of the mol-ecules are approximately planar, with r.m.s. deviations of 0.0051?(1), 0.0044?(1) and 0.0111?(1)?Å.

| S-EPMC3275225 | biostudies-literature

5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)meth-yl]-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C7H8N6O2S, the dihedral angle between the imidazole and thia-diazole rings is 70.86?(15)°. In the crystal, mol-ecules are linked into [10-1] chains by N-H?N hydrogen bonds, which incorporate centrosymmetric R 2 (2)(8) and R 2 (2)(18) loops. The chains are linked by C-H?O and C-H?N inter-actions, generating a three-dimensional network. Very weak ?-? stacking [centroid-centroid distance = 3.901?(17)?Å] is also observed.

| S-EPMC3885074 | biostudies-literature

5-(2-Bromo-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:In the title compound, C(8)H(6)BrN(3)S, the thia-diazole ring is oriented at a dihedral angle of 48.35?(3)° with respect to the bromo-phenyl ring. In the crystal structure, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

| S-EPMC2959338 | biostudies-literature

5-(2-Methyl-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol-ecules, in which the thia-diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra-molecular C-H⋯S inter-action results in the formation of a five-membered ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into chains along the a axis. A π-π contact between the thia-diazole rings [centroid-centroid distance = 3.910 (3) Å] may further stabilize the structure. There is also a weak C-H⋯π inter-action.

| S-EPMC2977661 | 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