Information card for entry 2216483
Chemical name |
4-(3-(Chloromethyl)-1,2,4-oxadiazol-5-yl)pyridine |
Formula |
C8 H6 Cl N3 O |
Calculated formula |
C8 H6 Cl N3 O |
SMILES |
ClCc1onc(n1)c1cccnc1 |
Title of publication |
4-[3-(Chloromethyl)-1,2,4-oxadiazol-5-yl]pyridine |
Authors of publication |
Kang, Si-shun; Li, Hai-Lin; Zeng, Hai-su; Wang, Hai-bo; Wang, Pin-liang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
12 |
Pages of publication |
o4654 - o4654 |
a |
10.512 ± 0.002 Å |
b |
11.486 ± 0.002 Å |
c |
7.208 ± 0.0014 Å |
α |
90° |
β |
94.11 ± 0.03° |
γ |
90° |
Cell volume |
868.1 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.1279 |
Residual factor for significantly intense reflections |
0.0761 |
Weighted residual factors for significantly intense reflections |
0.1632 |
Weighted residual factors for all reflections included in the refinement |
0.1914 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.999 |
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/2216483.html