Information card for entry 2216423
Chemical name |
2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]phenol |
Formula |
C14 H9 Br N2 O2 |
Calculated formula |
C14 H9 Br N2 O2 |
SMILES |
Brc1ccc(cc1)c1noc(n1)c1c(O)cccc1 |
Title of publication |
2-[3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl]phenol |
Authors of publication |
Li, Hai-lin; Wang, Hai-bo; Yin, Jun; Kang, Si-shun; Zeng, Hai-su |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
12 |
Pages of publication |
o4697 - o4697 |
a |
6.395 ± 0.0013 Å |
b |
5.079 ± 0.001 Å |
c |
19.625 ± 0.004 Å |
α |
90° |
β |
98.65 ± 0.03° |
γ |
90° |
Cell volume |
630.2 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.085 |
Residual factor for significantly intense reflections |
0.0473 |
Weighted residual factors for significantly intense reflections |
0.098 |
Weighted residual factors for all reflections included in the refinement |
0.1138 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.943 |
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/2216423.html