4-(2-Nitro-benz-yl)-3-phenyl-3,4-di-hydro-2H-1,4-benzoxazin-2-ol.
In: Acta crystallographica. Section E, Structure reports online, Jg. 70 (2014-07-11), Heft Pt 8, S. o863
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Zugriff:
The title compound, C21H18N2O4, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. In both mol-ecules the oxazine ring has an envelope conformation with the hydroxyl-substituted C atom as the flap. The nitro-benzyl ring and the phenyl ring are almost normal to the mean plane of the benzooxazine ring system with dihdral angles of 85.72 (15) and 82.69 (15)°, respectively, in mol-ecule A, and 85.79 (15) and 87.72 (15)°, respectively, in mol-ecule B. The main difference in the conformation of the two mol-ecules concerns the dihedral angle between the nitro-benzyl ring and the phenyl ring, viz. 79.67 (18) in mol-ecule A and 71.13 (18)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked by an O-H⋯O hydrogen bond. These units are then linked via C-H⋯O hydrogen bonds, forming sheets lying parallel to (010). Further C-H⋯O hydrogen bonds link the sheets to form a three-dimensional network. There are also O-H⋯π and C-H⋯π inter-actions present, reinforcing the three-dimensional structure.
Titel: |
4-(2-Nitro-benz-yl)-3-phenyl-3,4-di-hydro-2H-1,4-benzoxazin-2-ol.
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Autor/in / Beteiligte Person: | Chouguiat, L ; Boulcina, R ; Bouacida, S ; Merazig, H ; Debache, A |
Link: | |
Zeitschrift: | Acta crystallographica. Section E, Structure reports online, Jg. 70 (2014-07-11), Heft Pt 8, S. o863 |
Veröffentlichung: | <2008- > : Malden, MA : Wiley-Blackwell ; <i>Original Publication</i>: [Chester, England] : International Union of Crystallography, [2001]-, 2014 |
Medientyp: | academicJournal |
ISSN: | 1600-5368 (print) |
DOI: | 10.1107/S1600536814015645 |
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