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Information card for entry 2240827
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| Coordinates | 2240827.cif |
|---|---|
| Structure factors | 2240827.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Cyano-<i>N</i>-(furan-2-ylmethyl)acetamide |
|---|---|
| Formula | C8 H8 N2 O2 |
| Calculated formula | C8 H8 N2 O2 |
| SMILES | c1ccoc1CNC(=O)CC#N |
| Title of publication | Crystal structure of 2-cyano-<i>N</i>-(furan-2-ylmethyl)acetamide |
| Authors of publication | Subhadramma, Shivanna; Siddaraju, Budanur Papaiah; Naveen, Chandra; Saravanan, Janardhanan; Gayathri, Dasararaju |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o455 - o456 |
| a | 4.8093 ± 0.0004 Å |
| b | 14.9495 ± 0.0016 Å |
| c | 11.4969 ± 0.0011 Å |
| α | 90° |
| β | 93.482 ± 0.003° |
| γ | 90° |
| Cell volume | 825.06 ± 0.14 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.1024 |
| Weighted residual factors for all reflections included in the refinement | 0.1111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240827.cif 2240827.hkl |
| 139195 | 2015-06-14 | cif/ hkl/ Adding structures of 2240827 via cif-deposit CGI script. |
2240827.cif 2240827.hkl |
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Users of the data should acknowledge the original authors of the
structural data.