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1,3,5-Trinitro-2,4-bis-(2-phenyl-ethen-yl)benzene.

ABSTRACT: In the title compound, C(22)H(15)N(3)O(6), the central benzene ring and one of the phenyl rings are essentially parallel to each other, making a dihedral angle of 1.35?(16)°. The dihedral angle between the two phenyl rings is 83.56?(19)°. Intra-molecular C-H?N and C-H?O hydrogen bonds occur. In the crystal, mol-ecules are linked through C-H?O hydrogen bonds. Furthermore, offset face-to-face ?-? inter-actions with centroid-centroid distances of 3.644?(2)?Å help to stabilize the crystal structure.

SUBMITTER: Guo ZR

PROVIDER: S-EPMC2983400 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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1,3,5-Trinitro-2,4-bis-(2-phenyl-ethen-yl)benzene.

Guo Ze-Rong ZR Li Hua-Bo HB Li Fang F

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title compound, C(22)H(15)N(3)O(6), the central benzene ring and one of the phenyl rings are essentially parallel to each other, making a dihedral angle of 1.35 (16)°. The dihedral angle between the two phenyl rings is 83.56 (19)°. Intra-molecular C-H⋯N and C-H⋯O hydrogen bonds occur. In the crystal, mol-ecules are linked through C-H⋯O hydrogen bonds. Furthermore, offset face-to-face π-π inter-actions with centroid-centroid distances of 3.644 (2) Å help to stabilize the crystal structure. ...[more]

PMID: 21587486

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