The secondary structure in the title compound, C 17 H 20 ClN 5 O 2 Á0.125H 2 O, is stabilized by N-HÁ Á ÁN hydrogen bonds that connect molecules into centrosymmetric dimers; the dimers are linked via a variety of intermolecular interactions. organic papers Acta Cryst. (2007). E63, o629-o631 Tra ´vnı
2-Chloro-6-[(4-hydroxy-3,5-dimethoxybenzyl)amino]-9-isopropylpurine
✍ Scribed by Trávníček, Zdeněk ;Popa, Igor
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 178 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 105 K Mean (C-C) = 0.003 A R factor = 0.041 wR factor = 0.091 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
📜 SIMILAR VOLUMES
In the title compound, C 22 H 24 ClNO 5 , the carbonyl group is in an s-cis configuration with respect to the olefinic double bond. In the crystal structure, there are weak -stacking interactions but there are no significant intermolecular hydrogen bonds.
In the title compound, C 16 H 13 ClN 2 O 2 , the dihedral angle between the pyridine and benzene rings is 40.1 (1) . There is a weak intramolecular C-HÁ Á ÁCl interaction. Molecules are linked via O-HÁ Á ÁN hydrogen bonds, forming chains of graph-set motif C(6) along the a axis.