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Crystal and Molecular Structure of 3 ,5,6-Trichloro-2- Pyridino1 Complexes

Sridhar, M.A. and Lokanath, N.K. and Shashidhara Prasad, J. and Akmal, Pasha (2001) Crystal and Molecular Structure of 3 ,5,6-Trichloro-2- Pyridino1 Complexes. Molecular Crystals and Liquid Crystals, 369. pp. 153-165.

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Abstract

The complex (A), 3,5,6-trichloro-2-pyridinol-piperazine. C9Hd2N30C1,, crystallizes in the monoclinic space group P21/1z with the parameters n = 8.9134) A. b = 7.062(3) A. c = 19.039(5) A, f3 = 102.79(3)", V= 1168.9(8) A3, 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 > 20(0. 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-piperdineC,, ,H,,N,OCI,. crystallizes in the monoclinic space group PZ,/r with the parameters (I = 12.514(4) A, b = 22.464(2) A, c = 13.765(3) A, p =98.02(2)", V=3831.9(2) A3, Z = 12. The structure was solved by direct methods using SHELXS-86 and refined using SHELXL-93. The fmal residual factor is R1 = 0.072 for 2662 reflections with I > 20(I). The structure has both intra and intermolecular hydrogen bonds.

Item Type: Article
Uncontrolled Keywords: Crystal structure; pyridinol complexes
Subjects: 500 Natural Sciences and Mathematics > 04 Chemistry and Allied Sciences > 26 Pesticide Chemistry
Divisions: Food Protectants and Infestation Control
Depositing User: Food Sci. & Technol. Information Services
Date Deposited: 13 Sep 2010 07:21
Last Modified: 27 May 2011 05:26
URI: http://ir.cftri.com/id/eprint/9653

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