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Information card for entry 8100936
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| Coordinates | 8100936.cif |
|---|
| Formula | C20 H22 N4 O |
|---|---|
| Calculated formula | C20 H22 N4 O |
| SMILES | N1=C(C)C(C(=O)N1c1ccccc1)=C(Nc1c(N)cccc1)CCC |
| Title of publication | Crystal structure of 1-(4-propanoyl-2,4-dihydro-5-methyl-2-phenyl- 3H-pyrazol-3-oneimine)-2-aminobenzene, C~19~H~20~N~4~O, and of 1- (4-butanoyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-oneimine)-2- aminobenzene, C~20~H~22~N~4~O |
| Authors of publication | Uzoukwu, Bieluonwu A.; Gloe, Karsten; Duddeck, Helmut; Rademacher, Otto |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 2 |
| Pages of publication | 251 - 254 |
| a | 8.83 ± 0.002 Å |
| b | 9.171 ± 0.002 Å |
| c | 11.4 ± 0.003 Å |
| α | 77.956 ± 0.019° |
| β | 77.41 ± 0.02° |
| γ | 83.97 ± 0.02° |
| Cell volume | 879.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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