Information card for entry 2235072
Chemical name |
6-Chloro-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione |
Formula |
C19 H17 Cl N2 O3 |
Calculated formula |
C19 H17 Cl N2 O3 |
SMILES |
Clc1ccc2N(C(=O)NC(=O)c2c1)COC/C(=C/c1ccccc1)C |
Title of publication |
6-Chloro-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
Authors of publication |
El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
6 |
Pages of publication |
o1770 - o1771 |
a |
7.6179 ± 0.0003 Å |
b |
9.8168 ± 0.0004 Å |
c |
11.7009 ± 0.0006 Å |
α |
73.937 ± 0.004° |
β |
83.651 ± 0.003° |
γ |
80.942 ± 0.003° |
Cell volume |
828.31 ± 0.07 Å3 |
Cell temperature |
100 ± 2 K |
Ambient diffraction temperature |
100 ± 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 |
0.0545 |
Residual factor for significantly intense reflections |
0.0409 |
Weighted residual factors for significantly intense reflections |
0.1028 |
Weighted residual factors for all reflections included in the refinement |
0.1139 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2235072.html