Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê R factor = 0.043 wR factor = 0.095 Data-to-parameter ratio = 21.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
6-(2-Hydroxyethyl)benzo[f]-1,7-naphthyridin-6-ium bromide
✍ Scribed by Marciniak, Bernard ;Pavlyuk, Volodymyr ;Deska, Malgorzata
- Publisher
- International Union of Crystallography
- Year
- 2002
- Tongue
- English
- Weight
- 327 KB
- Volume
- 58
- Category
- Article
- ISSN
- 1600-5368
No coin nor oath required. For personal study only.
✦ Synopsis
The title compound, C 14 H 13 N 2 O + ÁBr À , in the solid state, has a zigzag packing of the azaaromatic molecules in the c direction, forming positively charged columns for the Br À anions. The CÐNÐC angle at the substituted N atom [122.7 (5) ] is signi®cantly larger than that at the unprotonated N atom [115.8 (5) ]. As for previously known azaaromatic halides and polyhalides, the title compound also has a short HÁ Á ÁBr distance for the CÐHÁ Á ÁBr interaction.
📜 SIMILAR VOLUMES
The title compound, C 25 H 26 O 2 , was isolated and characterized as a stable intermediate in the conversion of 2,2-diphenylethyl 2,4,6-trimethylphenyl ketone to its formaldehyde-derived enone.
Single-crystal synchrotron study T = 100 K Mean '(C±C) = 0.004 A Ê R factor = 0.025 wR factor = 0.071 Data-to-parameter ratio = 8.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.