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Isopropyl 4-nitro-benzoate.

ABSTRACT: In the mol-ecule of the title compound, C(10)H(11)NO(4), the nitro group is approximately coplanar with the benzene ring [dihedral angle = 4.57?(10)°], while the carboxyl-ate group is slightly twisted, making an angle of 12.16?(8)°. In the crystal, weak inter-molecular C-H?O hydrogen bonding and ?-? stacking inter-actions [centroid-centroid distances = 3.670?(2) and 3.665?(2)?Å] are observed.

SUBMITTER: Zou P

PROVIDER: S-EPMC3201251 | biostudies-literature | 2011 Oct

REPOSITORIES: biostudies-literature

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Isopropyl 4-nitro-benzoate.

Zou Pei P Xie Min-Hao MH Wu Hao H Liu Ya-Ling YL Chen Zheng-Ping ZP

Acta crystallographica. Section E, Structure reports online 20110930 Pt 10

In the mol-ecule of the title compound, C(10)H(11)NO(4), the nitro group is approximately coplanar with the benzene ring [dihedral angle = 4.57 (10)°], while the carboxyl-ate group is slightly twisted, making an angle of 12.16 (8)°. In the crystal, weak inter-molecular C-H⋯O hydrogen bonding and π-π stacking inter-actions [centroid-centroid distances = 3.670 (2) and 3.665 (2) Å] are observed. ...[more]

PMID: 22058830

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