Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.045 wR factor = 0.108 Data-to-parameter ratio = 12.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
2-Methoxycarbonyl-4-nitroacetanilide: π-stacked chains linked in pairs by C—H⋯O hydrogen bonds
✍ Scribed by Glidewell, Christopher ;Low, John N. ;Skakle, Janet M. S. ;Wardell, James L.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 269 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
Molecules of the title compound, C 10 H 10 N 2 O 5 , lie on mirror planes in space group Ibam. The molecules are linked into [001] chains by an aromatic %±% stacking interaction, and pairs of these chains are linked by a single CÐHÁ Á ÁO hydrogen bond.
📜 SIMILAR VOLUMES
In the title compound, C~18~H~11~BrN~2~O~2~, the molecules are linked into sheets by a combination of one N—H...O and two C—H...O hydrogen bonds, and the sheets are linked by an aromatic π–π stacking interaction.
Unequivocal existence of a centrosymmetric associated dimer of the title compound 1 formed by C-H.. • O=C hydrogen bonds was found by X-ray crystallography. The occurrence of this hydrogen bond, as well as the observed reduction of the bond-length alternation in the seven-membered ring of 1, is unde