Information card for entry 1556715
| Chemical name |
2'-chloro-2,5'-bipyrimidine |
| Formula |
C8 H5 Cl N4 |
| Calculated formula |
C8 H5 Cl N4 |
| SMILES |
Clc1ncc(c2ncccn2)cn1 |
| Title of publication |
Self-Assembled Monolayers with Distributed Dipole Moments Originating from Bipyrimidine Units |
| Authors of publication |
Gärtner, Michael; Sauter, Eric; Nascimbeni, Giulia; Wiesner, Adrian; Kind, Martin; Werner, Philipp; Schuch, Christian; Abu-Husein, Tarek; Asyuda, Andika; Bats, Jan W.; Bolte, Michael; Zojer, Egbert; Terfort, Andreas; Zharnikov, Michael |
| Journal of publication |
The Journal of Physical Chemistry C |
| Year of publication |
2019 |
| a |
3.7545 ± 0.0004 Å |
| b |
10.0984 ± 0.0011 Å |
| c |
11.3136 ± 0.0012 Å |
| α |
101.531 ± 0.002° |
| β |
93.707 ± 0.002° |
| γ |
98.905 ± 0.002° |
| Cell volume |
413.2 ± 0.08 Å3 |
| Cell temperature |
187 ± 2 K |
| Ambient diffraction temperature |
187 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0547 |
| Residual factor for significantly intense reflections |
0.0481 |
| Weighted residual factors for significantly intense reflections |
0.1449 |
| Weighted residual factors for all reflections included in the refinement |
0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.164 |
| 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/1556715.html
