In the title compound, C 13 H 15 N 3 O 2 , the triazepane ring adopts a twist-boat conformation and the piperidine ring adopts a boat conformation. The molecular packing is stabilized by N-HÁ Á ÁO, C-HÁ Á ÁO, C-HÁ Á Á and van der Waals interactions.
(3aS,5aR,10aS,11aR)-2,2-Dimethyl-3a,9,10,10a,11,11a-hexahydro-5aH-1,3-dioxolo[4,5:3′,4′]furo[2′,3′-f]indolizin-8(4H)-one
✍ Scribed by Vrábel, Viktor ;Kožíšek, Jozef ;Langer, Vratislav ;Marchalín, Štefan ;Bobošíková, Mária
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 242 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
Single-crystal X-ray study T = 183 K Mean '(C±C) = 0.003 A Ê R factor = 0.035 wR factor = 0.082 Data-to-parameter ratio = 12.6 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) = 0.001 A Disorder in main residue R factor = 0.044 wR factor = 0.131 Data-to-parameter ratio = 44.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~25~H~26~N~4~O~2~S, the central tricyclic system is essentially planar. The crystal stacking is governed mainly due to π–π interactions.
2-(3,5-Difluorophenoxy)-5-methyl-3-phenyl-8,9,10,11-tetrahydro-4H-benzo[4 0 0 0 ,5 0 0 0 ]thieno-[3 0 0 0 ,2 0 0 0 :5,6]pyrido [4,3-d]pyrimidin-4(3H)-one