Information card for entry 2208533
Chemical name |
1,6-bis(4-chlorophenyl)-3,4-dihydro-8-(4-pyridyl)pyrrolo[1,2-a]pyrazine |
Formula |
C24 H17 Cl2 N3 |
Calculated formula |
C24 H17 Cl2 N3 |
SMILES |
c1(ccc(cc1)c1cc(c2C(=NCCn12)c1ccc(cc1)Cl)c1ccncc1)Cl |
Title of publication |
1,6-Bis(4-chlorophenyl)-8-(4-pyridyl)-3,4-dihydropyrrolo[1,2-<i>a</i>]pyrazine |
Authors of publication |
Qiu, Xiao-Yang; Liu, Wei-Sheng; Zhu, Hai-Liang; Ma, Ji-Long |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
4 |
Pages of publication |
o1625 - o1626 |
a |
10.45 ± 0.002 Å |
b |
10.495 ± 0.002 Å |
c |
18.938 ± 0.004 Å |
α |
90° |
β |
102.73 ± 0.03° |
γ |
90° |
Cell volume |
2025.9 ± 0.7 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0996 |
Residual factor for significantly intense reflections |
0.0765 |
Weighted residual factors for significantly intense reflections |
0.1647 |
Weighted residual factors for all reflections included in the refinement |
0.1742 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.129 |
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/2208533.html