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Information card for entry 2013901
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Coordinates | 2013901.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3H)-one |
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Formula | C19 H20 F N3 O2 |
Calculated formula | C19 H20 F N3 O2 |
SMILES | Fc1ccc(N2CCN(CC2)CN2C(=O)Oc3ccc(cc23)C)cc1 |
Title of publication | 3-[4-(4-Fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one and 3-[4-(2-fluorophenyl)piperazin-1-ylmethyl]-5-methyl-1,3-benzoxazol-2(3<i>H</i>)-one |
Authors of publication | Yavuz Köysal; Şamil Işık; Meriç Köksal; Hakkı Erdog̃an; Nesrin Gokhan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 4 |
Pages of publication | o232 - o234 |
a | 8.1788 ± 0.0006 Å |
b | 6.1512 ± 0.0004 Å |
c | 34.09 ± 0.003 Å |
α | 90° |
β | 103.067 ± 0.007° |
γ | 90° |
Cell volume | 1670.6 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0954 |
Residual factor for significantly intense reflections | 0.0796 |
Weighted residual factors for significantly intense reflections | 0.2331 |
Weighted residual factors for all reflections included in the refinement | 0.2504 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013901.html
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Users of the data should acknowledge the original authors of the
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