N-(Cyanomethyl)benzamide

Abstract

Key indicators: single-crystal X-ray study; T = 296 K, P = 0.0 kPa; mean (C-C) = 0.002 Å; R factor = 0.038; wR factor = 0.109; data-to-parameter ratio = 13.6.In the structure of the title compound, C 9 H 8 N 2 O, 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-HÁ Á ÁO hydrogen bonds, forming a chain running parallel to the a axis. Related literature ExperimentalCrystal data Data collectionBruker X8 APEXII CCD areadetector diffractometer 11132 measured reflections 1920 independent reflections 1433 reflections with I > 2 (I) R int = 0.027