Crystal and Molecular Structure Analysis of 1,2,4-Triazolo-N-amino-thiols

Sarala, G. and Sridhar, M. A. and Shashidhara Prasad, J. and Nanjunda Swamy, S. and Basappa and Prabhuswamy, B. and Rangappa, K. S. (2006) Crystal and Molecular Structure Analysis of 1,2,4-Triazolo-N-amino-thiols. Molecular Crystals and Liquid Crystals, 457 (1). pp. 215-223. ISSN 1563-5287

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Abstract

The compound 4-amino-5-(4-methyl)-4H-[1,2,4]-triazole-3-thiol [AMT], C3H6N4S, crystallizes in the orthorhombic space group Pca2(1) with cell parameters a = 9.8130(3) angstrom; b = 8.8600(5) angstrom, c = 6.5400(5) angstrom, V = 568.61(6) angstrom(3), and Z = 4. The structure was solved by direct methods using SHELXS-97 and refined using SHELXL- 97. The final residual factor is R1 = 0.0465 for 1726 reflections and 75 parameters. The compound 4-amino-5-(4-chlorophenyl)-4H-[1,2,4]- triazole-3-thiol[ACT], C8H7 ClN4S, crystallizes in the triclinic space group P (1) over bar with cell parameters a = 8.0440(8) angstrom, b = 11.527(1) angstrom, c = 11.7780(7) angstrom, alpha = 66.537(6)degrees, beta = 72.990(6)degrees, gamma = 76.001(3)degrees, V = 948.1(1) angstrom, and Z 4. The structure was solved by direct methods using SHELXS- 97 and refined using SHELXL- 97. The final residual factor is R1 = 0644 for 6805 reflections and 254 parameters.

Item Type:	Article
Subjects:	C Chemical Science > Chemistry
Divisions:	Department of > Chemistry
Depositing User:	LA manjunath user
Date Deposited:	04 Sep 2019 10:20
Last Modified:	07 Jul 2022 10:13
URI:	http://eprints.uni-mysore.ac.in/id/eprint/7561

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