Information card for entry 2230656
Chemical name |
4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
Formula |
C22 H21 N3 O3 S |
Calculated formula |
C22 H21 N3 O3 S |
SMILES |
Oc1ccc(c(c1)O)C1Nc2ccccc2c2n1c1ccccc1n2.CS(=O)C |
Title of publication |
4-(5,6-Dihydrobenzimidazo[1,2-<i>c</i>]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
Authors of publication |
Eltayeb, Naser Eltaher; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1721 - o1722 |
a |
9.931 ± 0.0018 Å |
b |
16.342 ± 0.003 Å |
c |
23.516 ± 0.005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
3816.5 ± 1.3 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 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 |
0.1003 |
Residual factor for significantly intense reflections |
0.0961 |
Weighted residual factors for significantly intense reflections |
0.206 |
Weighted residual factors for all reflections included in the refinement |
0.2077 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.281 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2230656.html