Information card for entry 2219797
Chemical name |
4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-2-one |
Formula |
C16 H13 N3 O |
Calculated formula |
C16 H13 N3 O |
SMILES |
O=C1Nc2n(C(C1)c1ccccc1)c1ccccc1n2 |
Title of publication |
4-Phenyl-1,2,3,4-tetrahydropyrimido[1,2-<i>a</i>]benzimidazol-2-one |
Authors of publication |
Li, Gong-Chun; Yang, Feng-Ling; Yao, Chang-Sheng |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2008 |
Journal volume |
64 |
Journal issue |
11 |
Pages of publication |
o2143 |
a |
13.606 ± 0.003 Å |
b |
7.5674 ± 0.0015 Å |
c |
24.578 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2530.6 ± 0.9 Å3 |
Cell temperature |
113 ± 2 K |
Ambient diffraction temperature |
113 ± 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 |
0.0426 |
Residual factor for significantly intense reflections |
0.0366 |
Weighted residual factors for significantly intense reflections |
0.0976 |
Weighted residual factors for all reflections included in the refinement |
0.1122 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.151 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2219797.html