6-(2-Bromobenzylamino)purine monohydrate
✍ Scribed by Trávníček, Zdeněk ;Rosenker, Christopher J.
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 265 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 110 K Mean (C-C) = 0.004 A Disorder in solvent or counterion R factor = 0.036 wR factor = 0.106 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 100 K Mean '(C±C) = 0.003 A Ê R factor = 0.046 wR factor = 0.120 Data-to-parameter ratio = 12.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C 9 H 12 BrNO 4 SÁH 2 O, was prepared by a reduced condensation reaction of 5-bromo-2-hydroxybenzaldehyde and 2-aminoethanesulfonic acid. In the crystal structure, a two-dimensional network is formed via intermolecular N-HÁ Á ÁO and O-HÁ Á ÁO hydrogen bonds.
The title compound, C 13 H 10 ClN 5 O 2 , crystallizes with two molecules in the asymmetric unit. These are connected by ®ve hydrogen bonds, viz. three NÐHÁ Á ÁN interactions, two longer C OÁ Á ÁÁHÐN interactions, bifurcated at the O atom, and a CÐHÁ Á ÁN contact.
The asymmetric unit of the title compound, C 15 H 15 BrN 4 OÁ-H 2 O, consists of a roughly planar Schiff base molecule and a solvent water molecule. The Schiff base molecule displays a trans configuration with respect to the C N double bond. The dihedral angle between the benzene and pyridine rings