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Information card for entry 2241240
Preview
Coordinates | 2241240.cif |
---|---|
Structure factors | 2241240.hkl |
Original IUCr paper | HTML |
Chemical name | 5-(Furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
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Formula | C12 H9 N3 O2 |
Calculated formula | C12 H9 N3 O2 |
Title of publication | Crystal structure of 5-(furan-2-yl)-<i>N</i>-phenyl-1,3,4-oxadiazol-2-amine |
Authors of publication | Paswan, Santosh; Bharty, Manoj K.; Kumari, Sanyucta; Gupta, Sushil K.; Singh, Nand K. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2015 |
Journal volume | 71 |
Journal issue | 11 |
Pages of publication | o880 - o881 |
a | 13.195 ± 0.003 Å |
b | 5.6162 ± 0.0008 Å |
c | 14.958 ± 0.003 Å |
α | 90° |
β | 107 ± 0.02° |
γ | 90° |
Cell volume | 1060 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1709 |
Residual factor for significantly intense reflections | 0.0639 |
Weighted residual factors for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.1422 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241240.cif 2241240.hkl |
169833 | 2015-10-29 | cif/ hkl/ Adding structures of 2241240 via cif-deposit CGI script. |
2241240.cif 2241240.hkl |
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Users of the data should acknowledge the original authors of the
structural data.