Crystal Structure of 3-Amino-5,6-Dimethyl-2-Nitrobiphenyl-4-Carbonitrile

Wanqiang Zhang
2013 Crystal Structure Theory and Applications  
A kind of polysubstituted benzene, 3-amino-5,6-dimethyl-2-nitrobiphenyl-4-carbonitrile(C 15 H 13 N 3 O 2 ), was synthesized and its crystal structure was determined. The molecule is composed of two phenyl moieties, two methyl groups, a cyano group, an amino group and a nitro group. The methyl groups, cyano group and amino group are nearly coplanar with the connected benzene ring. Because of the large volume, the nitro group and the connected benzene ring are twisted. The dihedral angle between
more » ... dral angle between the two benzene rings is 83.51˚. In the crystal, molecules are linked by N-H···N and C-H···O hydrogen bonds. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion
doi:10.4236/csta.2013.23016 fatcat:hd6a3otakfcgnfljwqvrwcxxgi