Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239126
Preview
| Coordinates | 2239126.cif |
|---|---|
| Structure factors | 2239126.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime |
|---|---|
| Formula | C10 H9 N O2 |
| Calculated formula | C10 H9 N O2 |
| SMILES | O/N=C(\c1cc2c(o1)cccc2)C |
| Title of publication | (1<i>Z</i>)-1-(1-Benzofuran-2-yl)ethanone oxime |
| Authors of publication | Arunakumar, D. B.; Nivedita, R. Desai; Sreenivasa, S.; Madan Kumar, S.; Lokanath, N. K.; Suchetan, P. A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o40 |
| a | 9.5727 ± 0.0012 Å |
| b | 4.7303 ± 0.0008 Å |
| c | 18.756 ± 0.002 Å |
| α | 90° |
| β | 96.178 ± 0.006° |
| γ | 90° |
| Cell volume | 844.4 ± 0.2 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 | 0.0652 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1431 |
| Weighted residual factors for all reflections included in the refinement | 0.1464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181891 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/91. |
2239126.cif 2239126.hkl |
| 181310 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/91. |
2239126.cif 2239126.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239126.cif 2239126.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2239126.cif 2239126.hkl |
| 105015 | 2014-03-11 | cif/ hkl/ Adding structures of 2239126 via cif-deposit CGI script. |
2239126.cif 2239126.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.