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Information card for entry 2231123
Preview
Coordinates | 2231123.cif |
---|---|
Structure factors | 2231123.hkl |
Original IUCr paper | HTML |
Common name | 1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3- diylidene)dihydroxylamine |
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Chemical name | <i>N</i>-[1,3-bis(4-fluorophenyl)-3-(hydroxyimino)propylidene]hydroxylamine |
Formula | C15 H12 F2 N2 O2 |
Calculated formula | C15 H12 F2 N2 O2 |
SMILES | O/N=C(c1ccc(cc1)F)\CC(=N\O)/c1ccc(cc1)F |
Title of publication | 1,3-Bis(4-fluorophenyl)-<i>N</i>,<i>N</i>'-(propane-1,3-diylidene)dihydroxylamine |
Authors of publication | Samshuddin, S.; Butcher, Ray J.; Akkurt, Mehmet; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 8 |
Pages of publication | o1954 - o1955 |
a | 9.9233 ± 0.0007 Å |
b | 10.4236 ± 0.0006 Å |
c | 13.2422 ± 0.0011 Å |
α | 86.419 ± 0.006° |
β | 79.205 ± 0.007° |
γ | 89.932 ± 0.005° |
Cell volume | 1342.78 ± 0.17 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.114 |
Residual factor for significantly intense reflections | 0.0825 |
Weighted residual factors for significantly intense reflections | 0.2098 |
Weighted residual factors for all reflections included in the refinement | 0.2357 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2231123.html
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Users of the data should acknowledge the original authors of the
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