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2-Nitro-p-phenyl-ene bis-(toluene-sulfonate).

ABSTRACT: In the mol-ecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65?(4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39?(3) and 47.44?(3)° with respect to the toluene rings. An intra-molecular C-H?O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, inter-molecular C-H?O hydrogen bonds link the mol-ecules. There is a ?-? contact between the toluene rings [centroid-centroid distance = 4.035?(1)?Å].

SUBMITTER: Ji X 

PROVIDER: S-EPMC2960664 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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2-Nitro-p-phenyl-ene bis-(toluene-sulfonate).

Ji Xiujie X   Cheng Bowen B   Song Jun J   Liu Chao C  

Acta crystallographica. Section E, Structure reports online 20080823 Pt 9

In the mol-ecule of the title compound, C(20)H(17)NO(8)S(2), the two toluene rings are oriented at a dihedral angle of 3.65 (4)°, while the nitrophenyl ring is oriented at dihedral angles of 44.39 (3) and 47.44 (3)° with respect to the toluene rings. An intra-molecular C-H⋯O hydrogen bond results in the formation of a five-membered ring, which adopts an envelope conformation. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules. There is a π-π contact between the to  ...[more]

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