Information card for entry 7204411
Common name |
N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine |
Chemical name |
N-2-[5'-bromosalicylideneimino)benzyl]-5''-bromosalicylideneimine |
Formula |
C21 H16 Br2 N2 O2 |
Calculated formula |
C21 H16 Br2 N2 O2 |
SMILES |
Brc1ccc(c(/C=N/Cc2c(cccc2)/N=C/c2c(O)ccc(Br)c2)c1)O |
Title of publication |
Direct, efficient, solvent-free synthesis of 2-aryl-1,2,3,4-tetrahydroquinazolines |
Authors of publication |
Correa, Waldo H.; Papadopoulos, Stavroula; Radnidge, Peta; Roberts, Brett A.; Scott, Janet L. |
Journal of publication |
Green Chemistry |
Year of publication |
2002 |
Journal volume |
4 |
Journal issue |
3 |
Pages of publication |
245 |
a |
24.8822 ± 0.0008 Å |
b |
4.6291 ± 0.0002 Å |
c |
16.5755 ± 0.0005 Å |
α |
90° |
β |
106.263 ± 0.002° |
γ |
90° |
Cell volume |
1832.81 ± 0.11 Å3 |
Cell temperature |
123 ± 2 K |
Ambient diffraction temperature |
123 ± 2 K |
Number of distinct elements |
5 |
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 |
0.1609 |
Residual factor for significantly intense reflections |
0.0498 |
Weighted residual factors for significantly intense reflections |
0.0758 |
Weighted residual factors for all reflections included in the refinement |
0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.901 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/7204411.html