13b,13c-Di-2-pyridyl-5,7,12,13b,13c,14-hexa-hydro-6H,13H-5a,6a,12a,13a-tetra-azabenz[5,6]azuleno[2,1,8-ija]benz[f]azulene-6,13-dione methanol hemisolvate.

Lin Li,Zhi-Guo Wang,Yu-Zhou Wang

doi:10.1107/s1600536807063295

Abstract

The title compound, C30H24N6O2·0.5CH3OH, a glycoluril derivative with two pyridine substituents on the convex face of the glycoluril system, is an important intermediate for the synthesis of more complex glycoluril derivatives. The compound crystallizes with two independent molecules in the asymmetric unit, one of which exhibits disorder of one benzene ring over two orientations with refined site occupancy factors 0.65 (4):0.35 (4). The crystal structure contains several short C—H⋯O contacts, and the methanol molecule forms an O—H⋯O hydrogen bond to one of the glycoluril molecules.

Highlights

Key Laboratory of Pesticides and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People’s
The authors are grateful to Central China Normal University
As a part of our ongoing investigation into glycoluril derivatives, we report the crystal structure of the title compound

Summary

Data collection

Key Laboratory of Pesticides and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People’s. Key indicators: single-crystal X-ray study; T = 292 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.074; wR factor = 0.208; data-to-parameter ratio = 12.2. The title compound, C30H24N6O20.5CH3OH, a glycoluril derivative with two pyridine substituents on the convex face of the glycoluril system, is an important intermediate for the synthesis of more complex glycoluril derivatives. The compound crystallizes with two independent molecules in the asymmetric unit, one of which exhibits disorder of one benzene ring over two orientations with refined site occupancy factors 0.65 (4):0.35 (4). The crystal structure contains several short C—H O contacts, and the methanol molecule forms an. O—H O hydrogen bond to one of the glycoluril molecules. The authors are grateful to Central China Normal University

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