Information card for entry 1567379
Chemical name |
2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate |
Formula |
C21 H19 N5 O3 |
Calculated formula |
C21 H19 N5 O3 |
Title of publication |
Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate |
Authors of publication |
Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef |
Journal of publication |
IUCrData |
Year of publication |
2022 |
Journal volume |
7 |
Journal issue |
7 |
a |
8.8585 ± 0.0003 Å |
b |
18.0405 ± 0.0005 Å |
c |
23.1961 ± 0.0007 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3707 ± 0.2 Å3 |
Cell temperature |
150 ± 2 K |
Ambient diffraction temperature |
150 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0438 |
Residual factor for significantly intense reflections |
0.0351 |
Weighted residual factors for significantly intense reflections |
0.0816 |
Weighted residual factors for all reflections included in the refinement |
0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.048 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/1567379.html