ISSN:
1573-8779
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract An x-ray diffraction structural analysis was carried out to determine the structure of the 1∶2 solvate of 2,4-diamino-6-(2,4-diphenyl-1-cyano-1,3-butadien-1-yl)-5-cyano-nicotinonitrile with acetonitrile (I) using λMo radiation to R=0.043. The unit cell parameters of the monoclinic crystals of I are as follows: a=11.019, b=23.541, c=9.861 Å, β=105.45°, d calc =1.27, Z=4, space group P21/c. The nonplanar, sterically strained molecule has trans configuration with E arrangement of the substituents in the butadiene fragment. The molecular packing in the crystal solvate is determined by the hydrogen bonding between the amino and cyano groups and coulombic interactions due to the polar nature of the acetonitrile molecules. The effect of the substituents on the pyridine ring geometry, analogous to that reported for benzene derivatives, is discussed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00763804
Permalink