Information card for entry 2240769
Chemical name |
(<i>E</i>)-2-Benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one |
Formula |
C25 H20 N2 O2 S |
Calculated formula |
C25 H20 N2 O2 S |
Title of publication |
Crystal structure of (<i>E</i>)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one |
Authors of publication |
Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
6 |
Pages of publication |
o423 - o424 |
a |
17.4463 ± 0.0016 Å |
b |
5.3024 ± 0.0004 Å |
c |
22.778 ± 0.002 Å |
α |
90° |
β |
106.37 ± 0.005° |
γ |
90° |
Cell volume |
2021.7 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.1519 |
Residual factor for significantly intense reflections |
0.0565 |
Weighted residual factors for significantly intense reflections |
0.109 |
Weighted residual factors for all reflections included in the refinement |
0.1451 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2240769.html