Abstract
In the structure of the title compound, C9H8N2O, the amide group is twisted by a dihedral angle of 21.86 (7)° with respect to the benzene ring, while the planes of the benzene ring and cyanomethyl group form a dihedral angle of 53.13 (11)°. In the crystal structure, molecules are linked via N—H⋯O hydrogen bonds, forming a chain running parallel to the a axis.
Highlights
In the structure of the title compound, C9H8N2O, the amide group is twisted by a dihedral angle of 21.86 (7) with respect to the benzene ring, while the planes of the benzene ring and cyanomethyl group form a dihedral angle of 53.13 (11)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: DN2533)
N1—C8—H8 C9—C8—H8 N1—C8—H7 C9—C8—H7 H8—C8—H7 N2—C9—C8 C3—C2—C1 C3—C2—H2 C1—C2—H2 C4—C3—C2
Summary
Key indicators: single-crystal X-ray study; T = 296 K, P = 0.0 kPa; mean (C–C) = 0.002 A; R factor = 0.038; wR factor = 0.109; data-to-parameter ratio = 13.6. In the structure of the title compound, C9H8N2O, the amide group is twisted by a dihedral angle of 21.86 (7) with respect to the benzene ring, while the planes of the benzene ring and cyanomethyl group form a dihedral angle of 53.13 (11). Molecules are linked via N—HÁ Á ÁO hydrogen bonds, forming a chain running parallel to the a axis. Related literature For the biological activity and medicinal properties of tetrazole derivatives, see: Smissman et al (1976); McGuire et al (1990); Lunn et al (1992); Itoh et al (1995); Upadhayaya et al (2004); Wu et al (2008); Rostom et al (2009); Burger (1991); Singh et al (1980). See: Adams & Langley (1941a,b)
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