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Molecular Packing in Crystals of Phenoselenazine

 

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Opened Access Molecular Packing in Crystals of Phenoselenazine
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Author: Villares Durán, María del Pilar
Jiménez Garay, Rafael
Conde Amiano, Alejandro
Márquez Delgado, Rafael
Department: Universidad de Sevilla. Departamento de Física de la Materia Condensada
Date: 1976
Published in: Acta crystallographica. Section B, Structural science, 32 (AUG15), 2293-2296.
Document type: Article
Abstract: The crystal structure of phenoselenazine was solved by molecular-packing analysis. Trial models of the rigid molecule were oriented and positioned in the Cheshire cell. The refinement was carried out by structure-factor least-squares calculations using individual anisotropic temperature factors. The final discrepancy index was R = 0.051 for 601 reflexions which were more than two standard deviations above background. The unit cell with a= 7.829 (5), b = 20.909 (4) and c= 5.927 (7)/~ contains four molecules. The space group is P2~2121. The molecule has the same folded configuration as phenothiazine but is more open. The dihedral angle is 149"6 ° .
Cite: Villares Durán, M.d.P., Jiménez Garay, R., Conde Amiano, A. y Márquez Delgado, R. (1976). Molecular Packing in Crystals of Phenoselenazine. Acta crystallographica. Section B, Structural science, 32 (AUG15), 2293-2296.
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URI: http://hdl.handle.net/11441/67751

DOI: 10.1107/S0567740876007620

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