Abstract
In the title compound, C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9)°. The mean plane of the central ester group [r.m.s. deviation = 0.024 Å] forms dihedral angles of 53.28 (13) and 36.93 (16)°, respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19)° with the benzene ring to which it is attached. In the crystal, molecules are linked by weak C—H⋯O hydrogen bonds, forming C(7) chains, which run along [100].
Highlights
Refinement R[F 2 > 2(F 2)] = 0.044 wR(F 2) = 0.120 S = 1.03 2449 reflections 194 parameters 1 restraint H atoms treated by a mixture of independent and constrained refinement
Molecules are linked by weak C— HÁ Á ÁO hydrogen bonds, forming C(7) chains, which run along [100]
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5661)
Summary
Nonius KappaCCD diffractometer 4581 measured reflections 2449 independent reflections. Refinement R[F 2 > 2(F 2)] = 0.044 wR(F 2) = 0.120 S = 1.03 2449 reflections 194 parameters 1 restraint H atoms treated by a mixture of independent and constrained refinement. Key indicators: single-crystal X-ray study; T = 293 K; mean (C–C) = 0.007 A; R factor = 0.044; wR factor = 0.120; data-to-parameter ratio = 12.6. C14H8ClNO5, the benzene rings form a dihedral angle of 19.55 (9). The mean plane of the central ester group [r.m.s. deviation = 0.024 A ] forms dihedral angles of 53.28 (13) and 36.93 (16), respectively, with the nitro- and chloro-substituted rings. The nitro group forms a dihedral angle of 19.24 (19) with the benzene ring to which it is attached. Molecules are linked by weak C— HÁ Á ÁO hydrogen bonds, forming C(7) chains, which run along [100]
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