2,4,6-Trinitrophenyl 4-bromobenzoate
نویسنده
چکیده
In the title benzoate derivative, C13H6BrN3O8, the benzene rings form a dihedral angle of 80.90 (9)°. The ester moiety forms dihedral angles of 3.2 (2) and 82.8 4(10)° with the benzene and picryl rings, respectively. The Br atom is disordered over two positions, with the site occupancy for the minor component being 0.48 (4). The crystal structure features C-H⋯O inter-actions, which generate a three-dimensional network.
منابع مشابه
2,4,6-Trinitrophenyl 3-bromobenzoate
In the title picryl-substituted ester, C13H6BrN3O8, the mean plane of the central ester C-O-C(=O)-C fragment (r.m.s. deviation= 0.0186 Å) is rotated by 84.73 (7)° and 19.92 (12)° to the picryl and phenyl rings, respectively. In the crystal, the mol-ecules are linked by C-H⋯O inter-actions, forming centrosymmetric dimers enclosing R (2) 2(10) and R (2) 2(22) ring motifs along [001] and further h...
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In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 73.59 (7)°. The central ester unit forms an angle of 20.38 (12)° with the chloro-substituted benzene ring. In the crystal, mol-ecules are linked by weak C-H⋯O inter-actions, forming helical chains along [101] and [100].
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The structure of the title compound, C(14)H(13)BrO(2), which contains a norbornenyl group and a 4-bromo-benzoate ester at the single C-atom bridge, has been redetermined [see McDonald & Trotter (1965 ▶). Acta Cryst.19, 456-463] to modern standards to establish high-precision geometrical data to compare with norbornyl and other tetra-cyclic 4-bromo-benzoates. Possible structural evidence is soug...
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