The asymmetric unit of (I), showing the numbering scheme used. Displacement ellipsoids are drawn at the 50% probability level.
3,4-Dichloro-1-nitrobenzene–1,4-dioxane (4/1)
✍ Scribed by Barnett, Sarah A. ;Johnston, Andrea ;Florence, Alastair J. ;Kennedy, Alan R.
- Publisher
- International Union of Crystallography
- Year
- 2005
- Tongue
- English
- Weight
- 315 KB
- Volume
- 61
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The solvate structure of 3,4-dichloro-1-nitrobenzene with 1,4dioxane, C 6 H 3 Cl 2 NO 2 Á0.25C 4 H 8 N 2 , is reported. The asymmetric unit comprises two independent 3,4-dichloro-1-nitrobenzene molecules and half of a 1,4-dioxane molecule, the solvent molecule being disposed about a centre of inversion. Double chains of 3,4-dichloro-1-nitrobenzene are linked by ClÁ Á ÁCl interactions and 1,4-dioxane molecules via C-HÁ Á ÁO hydrogen bonds into a two-dimensional sheet.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.002 A Ê R factor = 0.048 wR factor = 0.129 Data-to-parameter ratio = 14.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 18 H 12 N 2 O 6 , crystallizes with two halfmolecules in the asymmetric unit. All molecules lie on a centre of inversion. The dihedral angles between the central and terminal benzene rings are 74.75 (4) and 85.25 (5) for the two molecules in the asymmetric unit.
In the title compound, C 6 H 2 Cl 2 N 2 O, the two nitro groups are twisted away from the plane of the aromatic ring. Intermolecular short ClÁ Á ÁO and ClÁ Á ÁCl contacts are observed in the crystal structure.