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3-Ethyl-6-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

ABSTRACT: In the mol-ecule of the title compound, C(17)H(22)N(4)S, the triazolothia-diazole ring system is essentially planar and forms a dihedral angle of 74.34?(6)° with the benzene ring. In the crystal structure, mol-ecules are linked into chains running along the b axis by C-H?? inter-actions; adjacent chains are cross-linked via C-H?N hydrogen bonds and short S?N contacts [3.2694?(14) and 3.2953?(14)?Å].

SUBMITTER: Fun HK

PROVIDER: S-EPMC2960717 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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3-Ethyl-6-{1-[4-(2-methyl-prop-yl)phen-yl]eth-yl}-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

Fun Hoong-Kun HK Jebas Samuel Robinson SR Sujith K V KV Patil P S PS Kalluraya B B

Acta crystallographica. Section E, Structure reports online 20080830 Pt 9

In the mol-ecule of the title compound, C(17)H(22)N(4)S, the triazolothia-diazole ring system is essentially planar and forms a dihedral angle of 74.34 (6)° with the benzene ring. In the crystal structure, mol-ecules are linked into chains running along the b axis by C-H⋯π inter-actions; adjacent chains are cross-linked via C-H⋯N hydrogen bonds and short S⋯N contacts [3.2694 (14) and 3.2953 (14) Å]. ...[more]

PMID: 21201811

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3,6-Bis(3,4,5-trimethoxy-phen-yl)-1,2,4-triazolo[3,4-b][1,3,4]thia-diazole.

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Project description:In the title compound, C(22)H(24)N(4)S, the methylphenyl and isobutylphenyl rings are inclined at an angle of 79.98?(1)° and they form dihedral angles of 4.59?(1) and 75.47?(1)°, respectively, with the triazolothia-diazole unit. An intra-molecular C-H?S hydrogen bond generates an S(5) ring motif. The crystal structure is stabilized by inter-molecular C-H?N hydrogen bonds and weak C-H?? and ?-? inter-actions [centroid-centroid distances between the thia-diazole ring and a symmetry-related phenyl ring and between the triazole ring and the phenyl ring range from 3.5680?(8) to 3.7313?(8)?Å].

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