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,* email, 2email and 3email
Received: 18 April 2012; in revised form: 22 May 2012 / Accepted: 1 June 2012 / Published: 12 June 2012
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.
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
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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.

AMA 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(2):669-674.

Chicago/Turabian Style

Fu, Xin-Ling; Li, Jiang-Sheng; Simpson, Jim. 2012. "Non-Covalent Interactions in the Crystal Structure of Methyl 4-Hydroxy-3-Nitrobenzoate." Crystals 2, no. 2: 669-674.

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