Information card for entry 2211236
Chemical name |
10-(2-Bromo-4,5-dimethoxy-benzyl) -7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraaza-dibenzo [<i>a,d</i>]cyclohepten-11-one |
Formula |
C24 H22 Br Cl N4 O3 |
Calculated formula |
C24 H22 Br Cl N4 O3 |
SMILES |
Brc1c(CN2C(=O)c3c(N(c4nc(Cl)cc(c24)C)C2CC2)nccc3)cc(OC)c(OC)c1 |
Title of publication |
10-(2-Bromo-4,5-dimethoxybenzyl)-7-chloro-5-cyclopropyl-9-methyl-5,10-dihydro-4,5,6,10-tetraazadibenzo[<i>a,d</i>]cyclohepten-11-one |
Authors of publication |
Sarala, G.; Thimme Gowda, N. R.; Rangappa, K. S.; Sridhar, M. A.; Shashidhara Prasad, J. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
11 |
Pages of publication |
o5110 - o5111 |
a |
9.068 ± 0.0009 Å |
b |
16.784 ± 0.0009 Å |
c |
16.196 ± 0.0016 Å |
α |
90° |
β |
107.26 ± 0.002° |
γ |
90° |
Cell volume |
2354 ± 0.4 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0741 |
Residual factor for significantly intense reflections |
0.0496 |
Weighted residual factors for significantly intense reflections |
0.1365 |
Weighted residual factors for all reflections included in the refinement |
0.1547 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
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/2211236.html