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2,4,6-Trinitro­phenyl 4-chloro­benzoate

In the title benzoate derivative, C(13)H(6)ClN(3)O(8), the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° f...

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Detalles Bibliográficos
Autores principales: Moreno-Fuquen, Rodolfo, Mosquera, Fabricio, Ellena, Javier, Tenorio, Juan C., De Simone, Carlos A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629618/
https://www.ncbi.nlm.nih.gov/pubmed/23634105
http://dx.doi.org/10.1107/S1600536813007332
Descripción
Sumario:In the title benzoate derivative, C(13)H(6)ClN(3)O(8), the planes of the benzene rings form a dihedral angle of 63.46 (5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78 (16)° for the first ortho, 28.4 (4) and 17.4 (4)° for the second (disordered) ortho and 3.58 (16)° for the para nitro group. The central ester moiety, –C—(C=O)—O–, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229 Å) and forms dihedral angles of 7.37 (14)° with the chloro-substituted benzene ring and 69.85 (6)° with the trinitro-substituted benzene ring. One of the nitro groups was refined as disordered over two sets of sites with fixed site occupancies of 0.61 and 0.39. In the crystal, mol­ecules are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional network.