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

ABSTRACT: The title compound, C(8)H(5)BrN(4)O(2)S, was synthesized by the reaction of 4-bromo-2-nitro-benzoic acid with thio-semi-carbazide. The dihedral angle between the thia-diazole and benzene rings is 40.5?(2)°. In the crystal, the strongest N-H?N inter-molecular hydrogen bond, between the amine group and one thia-diazole N atom, forms centrosymmetric dimers. The other amine H atom extends the supra-molecular network, forming an N-H?N contact with the other thia-diazole N atom.

SUBMITTER: Zhang JQ

PROVIDER: S-EPMC3200604 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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

Zhang Jian-Qiang JQ He Qiu Q Jiang Qianghua Q Mu Haipin H Wan Rong R

Acta crystallographica. Section E, Structure reports online 20110806 Pt 9

The title compound, C(8)H(5)BrN(4)O(2)S, was synthesized by the reaction of 4-bromo-2-nitro-benzoic acid with thio-semi-carbazide. The dihedral angle between the thia-diazole and benzene rings is 40.5 (2)°. In the crystal, the strongest N-H⋯N inter-molecular hydrogen bond, between the amine group and one thia-diazole N atom, forms centrosymmetric dimers. The other amine H atom extends the supra-molecular network, forming an N-H⋯N contact with the other thia-diazole N atom. ...[more]

PMID: 22058914

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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.

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

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Crystal structures of the co-crystalline adduct 5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-amine-4-nitro-benzoic acid (1/1) and the salt 2-amino-5-(4-bromo-phen-yl)-1,3,4-thia-diazol-3-ium 2-carb-oxy-4,6-di-nitro-phenolate.

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5-(2,3,4,5,6-Penta-fluoro-phen-yl)-1,3,4-thia-diazol-2-amine.

Project description:The title compound, C(8)H(2)F(5)N(3)S, was synthesized by the reaction of perfluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the thia-diazole and perfluoro-phenyl ring is 35.41?(6)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules, forming a three-dimensional network.

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

Project description:In the title mol-ecule, C(7)H(7)N(3)S(2), the dihedral angle between the thio-phene and thia-diazole rings is 72.99?(5)°; the two rings are oriented so that the S atoms in each ring are on the same side. In the crystal, the three-dimensional network involves strong N-H?O hydrogen bonds, as well as C-H?? and ?-? stacking inter-actions [centroid-centroid distances = 3.654?(1) and 3.495?(1)?Å].

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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.

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2-(4-Fluoro-phen-yl)-3-[5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-yl]-1,3-thia-zolidin-4-one.

Project description:In the title compound, C(17)H(11)FN(4)O(3)S(2), the five-membered thia-zolidinone and thia-diazole rings are almost planar, with r.m.s. deviations of 0.017 and 0.0019 Å, respectively. The 4-fluoro-phenyl ring is almost perpendicular to the thia-diazole ring, making a dihedral angle of 89.5 (3)°. The 4-nitro-phenyl ring is nearly coplanar with the thia-diazole ring, the dihedral angle being 7.9 (3)°. The crystal structure is stabilized by two inter-molecular C-H⋯O hydrogen bonds.

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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.

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