Ethyl 4-chloro-3-nitrobenzoate

Abstract

Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.003 Å; R factor = 0.046; wR factor = 0.130; data-to-parameter ratio = 14.6.In the molecule of the title compound, C 9 H 8 ClNO 4 , an intramolecular C-HÁ Á ÁO hydrogen bond results in the formation of a planar five-membered ring, which is nearly coplanar with the adjacent six-membered ring, the rings being oriented at a dihedral angle of 4.40 (3) . In the crystal structure, intermolecular C-HÁ Á ÁO hydrogen bonds link the molecules. Related literature ExperimentalCrystal data

Ethyl 4-fluoro-3-nitrobenzoate

“…For related structures, see: Mohd. Maidin, Abdul Rahim, Osman et al (2008); Li et al (2008Li et al ( , 2009. For details of hydrogen-bond motifs, see: Bernstein et al (1995).…”

“…The bond lengths (Allen et al, 1987) and angles observed in (I) are within normal ranges and are consistent with other related structures (Mohd. Maidin, Abdul Rahim, Osman et al, 2008;Li et al, 2009;Li et al, 2008). The C1-H1A•••O4 i intermolecular interactions (Table 2) linked the molecules into dimers forming 10-membered rings with R 2 2 (10) motifs (Bernstein et al, 1995).…”