Information card for entry 2020070
Chemical name |
3-Anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl)methylidene]-3,5-dihydro-4<i>H</i>-imidazol-4-one |
Formula |
C21 H17 N3 O S |
Calculated formula |
C21 H17 N3 O S |
Title of publication |
Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular strctures and supramolecular assembly |
Authors of publication |
Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Çelik, Ömer; Ersanlı, Cem Cüneyt; Glidewell, Christopher |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
8 |
a |
9.1697 ± 0.0005 Å |
b |
10.7939 ± 0.0005 Å |
c |
11.0837 ± 0.0006 Å |
α |
66.424 ± 0.002° |
β |
66.147 ± 0.003° |
γ |
67.934 ± 0.002° |
Cell volume |
889.13 ± 0.08 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0506 |
Residual factor for significantly intense reflections |
0.0436 |
Weighted residual factors for significantly intense reflections |
0.0938 |
Weighted residual factors for all reflections included in the refinement |
0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.135 |
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/2020070.html