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首页> 外文期刊>Crystallography reports >Crystal Structure of 7-Phenyl-5,6-Dihydro-14-Aza-1benzopyrano3,4-bphenanthren-8H-One
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Crystal Structure of 7-Phenyl-5,6-Dihydro-14-Aza-1benzopyrano3,4-bphenanthren-8H-One

机译:Crystal Structure of 7-Phenyl-5,6-Dihydro-14-Aza-1benzopyrano3,4-bphenanthren-8H-One

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摘要

The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The crystals are monoclinic, space group P2(1)/c, a = 13.607(3) angstrom, b = 13.352(3) angstrom, c = 9.700(2) angstrom, beta = 92.085(3)degrees, Z = 4, and R = 0.0543 for 3111 observed reflections. The dihedral angle between the coumarin nucleus and pyridine ring is 1.41(3)degrees, confirming the perfect planarity of the pyrido coumarin moiety. Ring D deviates significantly from planarity. The observed conformation for ring D is a half chair (Delta C-2(C5-C6) = 6.26). The supramolecular aggregation in the title compound is extremely simple and involves just one intermolecular hydrogen bond. Molecules are also reinforced by pi-pi stacking interactions involving pyrido coumarin moiety of the molecule.

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