Information card for entry 2006925
| Chemical name |
N,N'-Bis(1-methylimidazole-2yl-methyl)-1,3-diaminopropan-2-ol |
| Formula |
C13 H18 N6 O |
| Calculated formula |
C13 H18 N6 O |
| SMILES |
n1(c(ncc1)/C=N\CC(CN=Cc1nccn1C)O)C |
| Title of publication |
<i>N</i>,<i>N</i>'-Bis(1-methylimidazol-2-ylmethylidene)-1,3-diaminopropan-2-ol, HBIMPNOL |
| Authors of publication |
Vencato, Ivo; Neves, Ademir; Scarpellini, Marciela; Correia, Valdir R. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1998 |
| Journal volume |
54 |
| Journal issue |
1 |
| Pages of publication |
97 - 99 |
| a |
9.538 ± 0.002 Å |
| b |
9.603 ± 0.002 Å |
| c |
9.769 ± 0.002 Å |
| α |
82.46 ± 0.03° |
| β |
64 ± 0.03° |
| γ |
61.59 ± 0.03° |
| Cell volume |
704 ± 0.4 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0573 |
| Residual factor for significantly intense reflections |
0.0409 |
| Weighted residual factors for all reflections |
0.1909 |
| Weighted residual factors for significantly intense reflections |
0.1059 |
| Goodness-of-fit parameter for all reflections |
1.093 |
| Goodness-of-fit parameter for significantly intense reflections |
1.022 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2006925.html
