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Crystal data for 1‐4‐epoxy‐4‐[(4‐nitrophenyl)methyl]‐1‐phenyl‐1 H ‐2,3‐benzodioxepin‐5(4 H )‐one (C 22 H 15 NO 6 ) and 1,4‐epoxy‐4‐[(4‐bromophenyl)methyl]‐1‐phenyl‐1 H ‐2,3‐benzodioxepin‐5(4 H )‐one (C 22 H 15 BrO 4 )
Author(s) -
Mullica D. F.,
Belew J. S.,
Sappenfield E. L.
Publication year - 1986
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s002188988608977x
Subject(s) - monoclinic crystal system , crystallography , epoxy , powder diffraction , chemistry , diffraction , crystal (programming language) , crystal structure , materials science , physics , optics , organic chemistry , programming language , computer science
The indexed X‐ray diffraction powder data of 1,4‐epoxy‐4‐[(4‐nitrophenyl)methyl]‐1‐phenyl‐1 H ‐2,3‐benzodioxepin‐5(4 H )‐one (OZONO, C 22 H 15 NO 6 ) and 1,4‐epoxy‐4‐[(4‐bromophenyl)methyl]‐1‐phenyl‐1 H ‐2,3‐benzodioxepin‐5(4 H )‐one (OZOBR, C 22 H 15 BrO 4 ) are reported. OZONO and OZOBR crystallize in the monoclinic space groups P 2 1 / c and P 2 1 / a , respectively. The cell constants are a = 8.200 (4), b = 14.574 (6), c = 15.908 (7) Å, β = 100.30 (3)°, V = 1870.5 Å 3 , D m = 1.36 (1), D x = 1.38 Mg m −3 for OZONO and a = 12.217 (5), b = 8.945 (2), c = 17.062 (5) Å, β = 96.85 (2)°, V = 1851.2 Å 3 , D m = 1.49 (1), D x = 1.52 Mg m −3 for OZOBR. The quantitative figures of merit ( F N ) are F 20 = 62(0.007, 48) and F 26 = 28(0.016, 58) deg −1 , respectively. The JCPDS Diffraction File No. for OZONO is 36‐1988 and for OZOBR 36‐1989.