Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 5 (May 2006)

organic compounds

sk3011 scheme

Acta Cryst. (2006). C62, o295-o298 [ doi:10.1107/S0108270106008535 ]

A three-dimensional framework of -stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K

M. V. N. de Souza, T. R. A. Vasconcelos, S. M. S. V. Wardell, J. L. Wardell, J. N. Low and C. Glidewell

Abstract: Benzyl 4-chloro-3-nitrobenzoate, C₁₄H₁₀ClNO₄, crystallizes with Z' = 2 in the space group P $\overline{1}$ . The molecules are linked by three independent C-HO hydrogen bonds into chains of edge-fused R₄⁴(26) and R₄⁴(34) rings, and these chains are linked into a three-dimensional framework structure by aromatic [pi] - [pi] stacking interactions. In benzyl 4-nitrobenzoate, C₁₄H₁₁NO₄, the molecules are linked by two independent C-HO hydrogen bonds into chains containing two types of R₂²(10) ring.

Formula: C₁₄H₁₀ClNO₄ and C₁₄H₁₁NO₄


	Structure factor file (CIF format) (288.3 kbytes) [ doi:10.1107/S0108270106008535/sk3011Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (131.2 kbytes) [ doi:10.1107/S0108270106008535/sk3011IIsup3.hkl ] Contains datablock II

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