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Information card for entry 2243692
Preview
Coordinates | 2243692.cif |
---|---|
Structure factors | 2243692.hkl |
Original IUCr paper | HTML |
Chemical name | 1-(4-Fluorobenzoyl)-4-(2-methoxyphenyl)piperazine |
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Formula | C18 H19 F N2 O2 |
Calculated formula | C18 H19 F N2 O2 |
SMILES | N1(CCN(CC1)c1c(cccc1)OC)C(=O)c1ccc(F)cc1 |
Title of publication | Six 1-halobenzoyl-4-(2-methoxyphenyl)piperazines having <i>Z</i>' values of one, two or four; disorder, pseudosymmetry, twinning and supramolecular assembly in one, two or three dimensions |
Authors of publication | Harish Chinthal, Chayanna; Kavitha, Channappa N.; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2021 |
Journal volume | 77 |
Journal issue | 1 |
Pages of publication | 5 - 13 |
a | 7.3286 ± 0.0006 Å |
b | 11.3388 ± 0.0007 Å |
c | 20.304 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1687.21 ± 0.19 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0986 |
Residual factor for significantly intense reflections | 0.0444 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0875 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2243692.html
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