Crystal and molecular structure of 3,5,6-trichloro-2-pyridinol complexes

Sridhar, M. A. and Lokanath, N. K. and Shashidhara Prasad, J. and Pasha, A. (2001) Crystal and molecular structure of 3,5,6-trichloro-2-pyridinol complexes. Molecular Crystals and Liquid Crystals, 369. pp. 153-165. ISSN 1058-725X

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Abstract

The complex (A), 3,5,6-trichloro-2-pyridinol-piperazine, C9H12N3OCl3, crystallizes in the monoclinic space group P2(1)/n with the parameters a = 8.915(4) Angstrom b = 7.062(3) Angstrom, c = 19.039(5) Angstrom, beta = 102.79(3)degrees, V = 1168.9(8) Angstrom (3), Z = 4. The structure was solved by direct methods using SHELXS-86 (Sheldrick, 1990) and refined using SHELXL-93 (Sheldrick, 1993). The final residual factor is R1 = 0.0662 for 1273 reflections with I > 2 sigma (I). The structure has intermolecular hydrogen bonds. The molecules which are stacked in layers are interconnected through the hydrogen bonds. The complex B, 3,5,6-trichloro-2-pyridinol-piperdine, C10H13N2OCl3, crystallizes in the monoclinic space group P2(1)/c with the parameters a = 12.514(4) Angstrom, b = 22.464(2) Angstrom, c = 13.765(3) Angstrom, beta = 98.02(2)degrees, V = 3831.9(2) Angstrom (3), Z = 12. The structure was solved by direct methods using SHELXS-86 and refined using SHELXL-93. The final residual factor is R1 = 0.072 for 2662 reflections with I > 2 sigma (I). The structure has both intra and intermolecular hydrogen bonds.

Item Type:	Article
Uncontrolled Keywords:	crystal structure; pyridinol complexes
Subjects:	D Physical Science > Physics
Divisions:	Department of > Physics
Depositing User:	Harisha R uom
Date Deposited:	16 Jan 2020 05:19
Last Modified:	22 Nov 2022 11:04
URI:	http://eprints.uni-mysore.ac.in/id/eprint/10144

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