3-(4-Fluorobenzyl)-4-(2-methoxyphenyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione

Raja Ansar Hussain Khan; Rashid Iqbal; Habib‐ur‐Rehman; Ghulam Qadeer; Wai‐Yeung Wong

doi:10.1107/s1600536807033879

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3-(4-Fluorobenzyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione

Raja Ansar Hussain Khan Rashid Iqbal Habib‐ur‐Rehman Ghulam Qadeer Wai‐Yeung Wong

Year: 2007 Journal: Acta Crystallographica Section E Structure Reports Online Vol: 63 (8)Pages: o3501-o3501 Publisher: International Union of Crystallography

DOI: 10.1107/s1600536807033879

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Abstract

The title compound, C16H14FN3OS, is an important biologically active heterocyclic compound, containing one planar five-membered and two planar six-membered rings. The five-membered ring is oriented with respect to the six-membered rings at dihedral angles of 86.96 (3) and 74.42 (3)°. In the crystal structure, intermolecular N—H⋯S and C—H⋯F hydrogen bonds link the molecules into infinite chains.

Keywords:

Dihedral angle Ring (chemistry) Hydrogen bond Chemistry 1,2,4-Triazole Triazole Crystallography Planar Crystal structure Crystal (programming language) Stereochemistry Bioinformatics Medicinal chemistry Molecule Organic chemistry Computer science Biology

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Crystal structures of chemical compounds

Physical Sciences → Chemistry → Inorganic Chemistry

Synthesis and biological activity

Physical Sciences → Chemistry → Organic Chemistry

Synthesis and Characterization of Heterocyclic Compounds

Physical Sciences → Chemistry → Organic Chemistry

3-(4-Fluorobenzyl)-4-(2-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione

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