Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015255
2015254 << 2015255 >> 2015256Preview
|
Coordinates |
2015255.cif |
|
Structure factors |
2015255.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | (Z)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylamino]methylene}-2-methoxy- 4-(3-methoxyphenyldiazenyl)cyclohexa-2,4-dienone |
| Formula | - C19 H23 N3 O6 - |
| Calculated formula | - C19 H23 N3 O6 - |
| Title of publication | (<i>Z</i>)-4-(2,6-Dichlorophenyldiazenyl)-6-{[1,3-dihydroxy-2-(hydroxymethyl)propan- 2-ylamino]methylene}-2-methoxycyclohexa-2,4-dienone and the 3-methoxyphenyldiazenyl and 4-methoxyphenyldiazenyl analogues |
| Authors of publication | Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o173 - o177 |
| a | 16.3722 ± 0.0011 Å |
| b | 10.4506 ± 0.0005 Å |
| c | 11.3239 ± 0.0007 Å |
| α | 90° |
| β | 99.18 ± 0.005° |
| γ | 90° |
| Cell volume | 1912.7 ± 0.2 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.068 |
| Residual factor for observed reflections | 0.053 |
| Weighted residual factors for the observed reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1597 |
| Goodness-of-fit parameter for observed reflections | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |