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.
2-Chloro-6-[(2,6-dimethoxybenzyl)amino]-9-isopropylpurine 0.125-hydrate
✍ Scribed by Trávníček, Zdeněk ;Popa, Igor
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 326 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
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 ´c ˇek and Popa C 17 H 20 ClN 5 O 2 Á0.125H 2 O o631
📜 SIMILAR VOLUMES
In the title compound, C~12~H~14~ClN~5~O~4~, the dihedral angles between the purine plane and two methoxycarbonyl planes are 15.806 (19) and 68.818 (18)°. Intermolecular N—H...O and N—H...N hydrogen bonds link molecules into bands along the __b__ axis; they are further aggregated __via__ C—H...O int
In the crystal structure of the title compound, C 24 H 22 BrCl-N 4 O 3 , there are C-HÁ Á ÁO and C-HÁ Á ÁBr intermolecular hydrogen bonds, and also C-HÁ Á ÁO, C-HÁ Á ÁBr and C-HÁ Á ÁN intramolecular hydrogen bonds.