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.
6-(4-Bromobenzylamino)purine
✍ Scribed by Trávníček, Zdeněk ;Maľarová-Matiková, Miroslava
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 273 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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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.
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 16 H 12 BrClN 4 O, contains two benzene rings and a triazole ring which is substituted at the 1,2,4positions. The crystal structure of (I) is stabilized by NÐ HÁ Á ÁO and %±% stacking interactions.
In the title compound, [Fe(C 5 H 5 )(C 13 H 10 Br)], the benzene ring makes a dihedral angle of 14.1 (2) with the substituted cyclopentadienyl ring. The bond distances imply that there is no conjugation between the cyclopentadienyl and benzene rings.