2,4,6-Trinitro-phenyl 4-chloro-benzoate.
Acta Crystallogr Sect E Struct Rep Online
; 69(Pt 4): o570, 2013 Apr 01.
Article
em En
| MEDLINE
| ID: mdl-23634105
In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46â
(5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78â
(16)° for the first ortho, 28.4â
(4) and 17.4â
(4)° for the second (disordered) ortho and 3.58â
(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 = 0.0229â
Å) and forms dihedral angles of 7.37â
(14)° with the chloro-substituted benzene ring and 69.85â
(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, mol-ecules are linked by weak C-Hâ¯O hydrogen bonds, forming a three-dimensional network.
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1
Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr Sect E Struct Rep Online
Ano de publicação:
2013
Tipo de documento:
Article
País de afiliação:
Colômbia
País de publicação:
Estados Unidos