Crystal structures of two triazole derivatives

Ambalavanan, P. and Palani, K. and Ponnuswamy, M. N. and Thirumuruhan, R. A. and Yathirajan, H. S. and Prabhuswamy, B. and Raju, C. R. and Nagaraja, P. and Mohana, N. K. (2003) Crystal structures of two triazole derivatives. Molecular Crystals and Liquid Crystals, 393 (1). pp. 67-73. ISSN 1563-5287

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Abstract

3-Phenyl-4-amino-5-mercapto-1,2,4-triazole(PAMT), C8H8N4S, F.W. = 192.24, triclinic, P (1) over bar, a = 6.1698(3)Angstrom, b = 7.1765(1)Angstrom, c = 9.9894(3)Angstrom, alpha = 81.87(1)degrees, beta = 84.97(2)degrees, gamma = 78.81(2)degrees, V = 428.72(3)Angstrom(3), Z = 2, D-cal = 1.489 Mgm(-3) , mu = 0.330 mm(-1), F-000 = 200, lambda(MoKalpha) = 0.71073 Angstrom, final R1 and wR2 are 0.0871 and 0.2170, respectively. 3-(4-Methylphenyl)-4-amino-5-mercapto-1,2,4-triazole (MAMT), C9H10N4S, F.W. = 206.27, triclinic, P (1) over bar, a = 5.996(1)Angstrom, b = 7.582(2)Angstrom, c = 11.143(1)Angstrom, alpha = 73.16(1)degrees, beta = 89.65(2)degrees, gamma = 87.88(1)degrees, V = 484.52(3)Angstrom(3) , Z = 2, D-cal = 1.414 Mgm(-3) , mu = 2.674 mm(-1), F-000 = 216, lambda (CuKalpha) = 1.5418 Angstrom, final R1 and wR2 are 0.0656 and 0.1820, respectively. In both of the molecules the triazole rings are planar and oriented at angles of 5.7(1)degrees and 1.4(2)degrees with the respective phenyl rings in MAMT and PAMT. The molecules in the unit cell are stabilized by N-H...N type hydrogen bonds in addition to van der Waals forces.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	LA manjunath user
Date Deposited:	24 Sep 2019 05:57
Last Modified:	24 Sep 2019 05:57
URI:	http://eprints.uni-mysore.ac.in/id/eprint/8431

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