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

ABSTRACT: 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.

SUBMITTER: Wang Y

PROVIDER: S-EPMC2977777 | biostudies-literature | 2009 Apr

REPOSITORIES: biostudies-literature

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

Wang Yao Y Wan Rong R Han Feng F Wang Peng P Wang Bin B

Acta crystallographica. Section E, Structure reports online 20090425 Pt 5

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. ...[more]

PMID: 21583913

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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.

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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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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.

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 ?-? 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?? inter-action.

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

Project description:The title compound, C(14)H(11)N(3)OS, was synthesized by the reaction of phenoxy-benzoic acid and thio-semicarbazide. The thia-diazole ring makes dihedral angles of 0.99?(16) and 86.53?(18)°, respectively, with the benzene and phenyl rings. The dihedral angle between the benzene and phenyl rings is 87.17?(19)°. Intra-molecular C-H?S contacts are present. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules.

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

Project description:The title compound, C(8)H(6)FN(3)S, was synthesized by the reaction of 3-fluoro-benzoic acid and thio-semicarbazide. The dihedral angle between the planes of the thia-diazole and benzene rings is 37.3?(2)°. In the structure, two crystallographically independent mol-ecules form a centrosymmetric dimer, in which two inter-molecular N-H?N hydrogen bonds generate an R(2) (2)(8) motif.

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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-(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.

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5,5'-[Methyl-enebis(sulfanedi-yl)]bis-(1,3,4-thia-diazol-2-amine).

Project description:In the crystal structure of the title compound, C(5)H(6)N(6)S(4), the mol-ecules are linked by strong N-H?N hydrogen bonds into a two-dimensional network and an intra-molecular C-H?S inter-action also occurs.

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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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