Information card for entry 2020071
Chemical name |
2-Phenyl-5-[(thiophen-2-yl)methylidene]-3-{[(<i>E</i>)-(thiophen-2-yl)methylidene]amino}-3,5-dihydro-4<i>H</i>-imidazol-4-one |
Formula |
C19 H13 N3 O S2 |
Calculated formula |
C19 H13 N3 O S2 |
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 |
8.2717 ± 0.0002 Å |
b |
17.453 ± 0.0003 Å |
c |
23.3501 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3370.96 ± 0.12 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0543 |
Residual factor for significantly intense reflections |
0.0428 |
Weighted residual factors for significantly intense reflections |
0.1098 |
Weighted residual factors for all reflections included in the refinement |
0.1195 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
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/2020071.html