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Crystals 2012, 2(2), 669-674; doi:10.3390/cryst2020669
Communication

Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate

1,* , 2
 and 3
1 Changsha Medical University, Changsha 410219, China 2 School of Chemistry & Biological Engineering, Changsha University of Science and Technology, Changsha 410114, China 3 Department of Chemistry, University of Otago, P. O. Box 56, Dunedin 9054, New Zealand
* Author to whom correspondence should be addressed.
Received: 18 April 2012 / Revised: 22 May 2012 / Accepted: 1 June 2012 / Published: 12 June 2012
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Abstract

Methyl 4-hydroxy-3-nitrobenzoate, (I), C8H7NO5, crystallizes with two unique molecules, A and B, in the asymmetric unit of the triclinic unit cell. The space group was assigned as P-1, with lattice parameters a = 0.72831(15), b = 1.0522(2), c = 1.1410(2) nm, α = 83.38(3), β = 80.83(3), γ = 82.02(3)°, Z = 4, V = 0.8510(3) nm3, Mr = 197.15, Dc = 1.539 g/m3, µ= 0.131 mm−1, F(000) = 408, R = 0.1002 and wR = 0.2519. In the crystal structure, 12 hydrogen bonding and two p-stacking interactions link the molecules into infinite stacked sheets parallel to (101).
Keywords: hydroxynitrobenzoate ester; crystal structure; noncovalent interactions; hydrogen bonding; π-stacking hydroxynitrobenzoate ester; crystal structure; noncovalent interactions; hydrogen bonding; π-stacking
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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MDPI and ACS Style

Fu, X.-L.; Li, J.-S.; Simpson, J. Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate. Crystals 2012, 2, 669-674.

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