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Ethyl 4-chloro-3,5-dinitro-benzoate.

ABSTRACT: In the title compound, C(9)H(7)ClN(2)O(6), the nitro groups and the ester group make dihedral angles of 44.0?(1), 89.6?(1) and 164.1?(1)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked through weak C-H?O hydrogen-bonding inter-actions. Mol-ecules are stacked via ?-? inter-actions about inversion centers, with a centroid-centroid distance of 3.671?(2)?Å.

SUBMITTER: Wu H

PROVIDER: S-EPMC3247331 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Ethyl 4-chloro-3,5-dinitro-benzoate.

Wu Hao H Xie Min-Hao MH Liu Ya-Ling YL He Yong-Jun YJ Zou Pei P

Acta crystallographica. Section E, Structure reports online 20111012 Pt 11

In the title compound, C(9)H(7)ClN(2)O(6), the nitro groups and the ester group make dihedral angles of 44.0 (1), 89.6 (1) and 164.1 (1)°, respectively, with the benzene ring. In the crystal, mol-ecules are linked through weak C-H⋯O hydrogen-bonding inter-actions. Mol-ecules are stacked via π-π inter-actions about inversion centers, with a centroid-centroid distance of 3.671 (2) Å. ...[more]

PMID: 22219949

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