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Information card for entry 1550460
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1550460.cif |
---|---|
Structure factors | 1550460.hkl |
Original IUCr paper | HTML |
Common name | 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol |
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Formula | C20 H21 N5 O |
Calculated formula | C20 H21 N5 O |
SMILES | Cc1ccc(cc1)/N=N/c1cc(/C=N/CCCn2cncc2)c(O)cc1 |
Title of publication | 2-[(<i>E</i>)-{[3-(1<i>H</i>-Imidazol-1-yl)propyl]imino}methyl]-4-[(<i>E</i>)-(4-methylphenyl)diazenyl]phenol |
Authors of publication | Slassi, Siham; Stetsiuk, Oleh; Amine, Amina; Aarjane, Mohammed; El-Ghayoury, Abdelkrim; Zouihri, Hafid; Yamni, Khalid |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | x190036 |
a | 12.241 ± 0.0004 Å |
b | 5.9386 ± 0.0002 Å |
c | 25.2112 ± 0.0009 Å |
α | 90° |
β | 90.317 ± 0.003° |
γ | 90° |
Cell volume | 1832.69 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0931 |
Residual factor for significantly intense reflections | 0.0842 |
Weighted residual factors for significantly intense reflections | 0.234 |
Weighted residual factors for all reflections included in the refinement | 0.2445 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1550460.html
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Users of the data should acknowledge the original authors of the
structural data.