Crystal and Molecular Structure of 3-Amino-2-(4-methylphenylamino)quinazolin-4(3H)-one

El-Shora, Abdel-Fatah I. and El-Hiti, Gamal A. 1998. Crystal and Molecular Structure of 3-Amino-2-(4-methylphenylamino)quinazolin-4(3H)-one. Egyptian Journal of Solids 21 (1) , pp. 163-170.

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Abstract

The crystal structure of 3-Amino-2-(4-methylphenylamino)quinazolin-4(3H)-one (TNT2) is reported. TNT2 is monoclinic, space group C2/c with a = 23.127(5), b = 7.845(2), c = 14.625(3) A and beta=93.58 (3)°. The structure was refined by full matrix least square methods using SHELX93-97program to Rl = 0.051. Torsion angles calculation found that the three rings are-planar within the Experimental error. The phenyl ring connected to C2 is deviated slightly from the plane of quanozlin ring, this feature is different from that found in the molecules of 3-(Diacylamino)quinazolin-4(3H)-ones. Intermolecular hydrogen bond is found between N1...H18B with a value of 2.710 A.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	The Egyptian Materials Research Society (Eg-MRS)
ISSN:	1012-5566
Last Modified:	19 Mar 2016 22:25
URI:	https://orca.cardiff.ac.uk/id/eprint/15622

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