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Synthesis and Structural Characterization of 4-Hydroxyanilinium 3,4,5,6-Tetrachloro-2-(methoxycarbonyl)benzoate Methanol Monosolvate
Corresponding Author(s) : Jian Li
Asian Journal of Chemistry,
Vol. 25 No. 2 (2013): Vol 25 Issue 2
Abstract
The compound 4-hydroxyanilinium 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate methanol monosolvate (C16H15Cl4NO6, Mr = 459.09) was synthesized and characterized by single crystal X-ray diffraction. The crystal belongs to triclinic, space group P-1, with a = 6.9729(7), b = 10.7860(11), c = 13.5101(15) Å, b = 83.105(2)º, V = 979.49(18) Å3, Z = 2, Dc = 1.557 g/cm3, l = 0.71073 Å, μ(MoKa) = 0.637 mm-1, F(000) = 468. The final refinement gave R = 0.0991, wR(F2) = 0.2400 for 3,338 observed reflections with I > 2s(I). The asymmetric unit of the title compound contains one 4-hydroxyanilinium cation, one 3,4,5,6-tetrachloro-2-(methoxycarbonyl)benzoate anion and one methanol molecule. The two benzene rings are approximately parallel with a dihedral angle of 0.8 (2)º. The components of the crystal are connected, via the intermolecular N-H···O and O-H···O hydrogen bonds interactions, to form network.
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- L.M. Lima, P. Castro,A.L. Machado, C.A.M. Frage, C. Lugniur, V.L.G. Moraes and E. Barreiro, J. Biol. Org. Med. Chem., 21, 3067 (2002).
- A. Couture, E. Deniau, P. Grandclaudon and C. Hoarau, J. Org. Chem., 63, 3128 (1998).
- A. Couture, E. Deniau, P. Woisel and P. Grandclaudon, Synth.-Stuttgart, 12, 1439 (1997).
- S. Mahapatra, J. Singh, R. Raju, B.C. Maiti and T.K. Maity, Asian J. Chem., 23, 1581 (2011).
- Z.P. Liang and J. Li, Asian J. Chem., 25, 657 (2013).
- J. Li, Acta Cryst., E67, o842 (2011).
- J. Li, Acta Cryst., E67, o901 (2011).
- G.M. Sheldrick, SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Gottingen, Germany (1996).
- G.M. Sheldrick, SHELXTL V 5.1 Software Reference Manual, Bruker AXS, Inc., Madison, Wisconsin, USA (1997).
- Siemens, SMART and SAINT, Area Detector Control and Integration Software. Siemens Analytical X-Ray Systems, Inc., Madison, Wisconsin, USA (1996).
References
L.M. Lima, P. Castro,A.L. Machado, C.A.M. Frage, C. Lugniur, V.L.G. Moraes and E. Barreiro, J. Biol. Org. Med. Chem., 21, 3067 (2002).
A. Couture, E. Deniau, P. Grandclaudon and C. Hoarau, J. Org. Chem., 63, 3128 (1998).
A. Couture, E. Deniau, P. Woisel and P. Grandclaudon, Synth.-Stuttgart, 12, 1439 (1997).
S. Mahapatra, J. Singh, R. Raju, B.C. Maiti and T.K. Maity, Asian J. Chem., 23, 1581 (2011).
Z.P. Liang and J. Li, Asian J. Chem., 25, 657 (2013).
J. Li, Acta Cryst., E67, o842 (2011).
J. Li, Acta Cryst., E67, o901 (2011).
G.M. Sheldrick, SADABS, Program for Empirical Absorption Correction of Area Detector Data, University of Gottingen, Germany (1996).
G.M. Sheldrick, SHELXTL V 5.1 Software Reference Manual, Bruker AXS, Inc., Madison, Wisconsin, USA (1997).
Siemens, SMART and SAINT, Area Detector Control and Integration Software. Siemens Analytical X-Ray Systems, Inc., Madison, Wisconsin, USA (1996).