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1,2-Bis[2-(2-nitro-1H-imidazol-1-yl)eth-oxy]ethane.

ABSTRACT: In the crystal structure, the title compound, C(12)H(16)N(6)O(6), lies on an inversion centre. The mol-ecule has an anti-periplanar conformation with respect to the C-C bond of the central ethane unit and the two imidazole rings are parallel to each other. The dihedral angle between the imidazole ring and the mean plane of the C and O atoms of the bis-(eth-oxy)ethane group is 76.04?(6)°. The mol-ecules are stacked along the c axis through a weak C-H?O inter-action and a ??? inter-action between the imidazole rings with a centroid-centroid distance of 3.5162?(6)?Å. An intramolecular C-H?O hydrogen bond is also present.

SUBMITTER: Li SX

PROVIDER: S-EPMC2960585 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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1,2-Bis[2-(2-nitro-1H-imidazol-1-yl)eth-oxy]ethane.

Li Shu-Xian SX Zhu Lin L Li Hua-Min HM Fun Hoong-Kun HK Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the crystal structure, the title compound, C(12)H(16)N(6)O(6), lies on an inversion centre. The mol-ecule has an anti-periplanar conformation with respect to the C-C bond of the central ethane unit and the two imidazole rings are parallel to each other. The dihedral angle between the imidazole ring and the mean plane of the C and O atoms of the bis-(eth-oxy)ethane group is 76.04 (6)°. The mol-ecules are stacked along the c axis through a weak C-H⋯O inter-action and a π⋯π inter-action between ...[more]

PMID: 21201679

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