Information card for entry 2239302
Chemical name |
[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl](phenyl)methanone |
Formula |
C22 H19 N O S |
Calculated formula |
C22 H19 N O S |
SMILES |
O=C(c1c(/N=C/c2ccccc2)sc2c1CCCC2)c1ccccc1 |
Title of publication |
[2-(Benzylideneamino)-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophen-3-yl](phenyl)methanone |
Authors of publication |
Kaur, Manpreet; Jasinski, Jerry P.; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Byrappa, K. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2014 |
Journal volume |
70 |
Journal issue |
5 |
Pages of publication |
o507 - o508 |
a |
8.7876 ± 0.00016 Å |
b |
14.0091 ± 0.0003 Å |
c |
14.412 ± 0.0002 Å |
α |
90° |
β |
94.8913 ± 0.0017° |
γ |
90° |
Cell volume |
1767.75 ± 0.06 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173.15 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 |
0.0586 |
Residual factor for significantly intense reflections |
0.0425 |
Weighted residual factors for significantly intense reflections |
0.1025 |
Weighted residual factors for all reflections included in the refinement |
0.1133 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.032 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2239302.html