Structure of 5-hydroxy-5-phenyl-7-azatricyclo[7.4.0.02,7]trideca-2,9(1),10,12-tetraen-8-one by the consistent electron density approach

C18H15NO2, Mr = 277.3, monoclinic, P21/n, a = 7.408 (2), b = 22.311 (7), c = 8.613 (2) A, beta = 103.53 (3) degrees, V = 1384 (1) A3, Z = 4, Dx = 1.33 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 0.94 cm-1, F(000) = 594, T = 293 K, 2229 unique diffractometer data, 963 with I greater than 3 sigma(I),...

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Veröffentlicht in:	Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 1990-01, Vol.46 (1), p.116-119
Hauptverfasser:	Bhat, T. N., Ammon, H. L., Mazzocchi, P. H., Oda, M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Bridged-Ring Compounds Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Heterocyclic compounds Molecular Structure Organic compounds Physics Structure of solids and liquids crystallography Structure of specific crystalline solids X-Ray Diffraction - methods
Online-Zugang:	Volltext
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Beschreibung
Zusammenfassung:	C18H15NO2, Mr = 277.3, monoclinic, P21/n, a = 7.408 (2), b = 22.311 (7), c = 8.613 (2) A, beta = 103.53 (3) degrees, V = 1384 (1) A3, Z = 4, Dx = 1.33 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 0.94 cm-1, F(000) = 594, T = 293 K, 2229 unique diffractometer data, 963 with I greater than 3 sigma(I), R = 0.050. Structure solution was by the consistent electron density approach which combines the concepts of the OMIT map and density modification procedures. The benzolactam portion of the molecule is highly planar; most bond lengths and angles have typical values.
ISSN:	0108-2701 1600-5759
DOI:	10.1107/S0108270189005032