Table of Contents
ISRN Organic Chemistry
Volume 2014, Article ID 728343, 7 pages
Research Article

Crystal Structure and Stereochemistry Study of 2-Substituted Benzoxazole Derivatives

1Crystallography Laboratory, Physics Division, National Research Center, Dokki, Giza 12622, Egypt
2Physics Department, Women’s College, Ain Shams University, Cairo 11757, Egypt

Received 10 January 2014; Accepted 5 March 2014; Published 13 May 2014

Academic Editors: N. Farfan, C. W. Lehmann, and T. Polonski

Copyright © 2014 Ahmed F. Mabied et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


The structure of 2-[(4-chlorophenylazo) cyanomethyl] benzoxazole, C15H9ClN4O (I), has triclinic ( ) symmetry. The structure displays hydrogen bonding. The structure of 2-[(arylidene) cyanomethyl] benzoxazoles, C17H10N2O3 (II), has triclinic ( ) symmetry. The structure displays , hydrogen bonding. In (I), the chlorophenyl and benzoxazole groups adopt a trans configuration with respect to the central cyanomethyle hydrazone moiety. Compound (II) crystallized with two molecules in the asymmetric unit shows cisoid conformation between cyano group and benzoxazole nitrogen, contrary to (I). In (II) the benzodioxole has an envelope conformation (the C17 atom is the flap atom). The molecular geometry obtained using molecular mechanics (MM) calculations has been discussed along with the results of single crystal analysis.