Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227480
Preview
| Coordinates | 2227480.cif |
|---|---|
| Structure factors | 2227480.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Ethoxy-2-hydroxybenzaldehyde 2,4-dinitrophenylhydrazone <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
|---|---|
| Formula | C18 H21 N5 O7 |
| Calculated formula | C18 H21 N5 O7 |
| SMILES | N(/N=C/c1cccc(OCC)c1O)c1ccc(cc1N(=O)=O)N(=O)=O.O=CN(C)C |
| Title of publication | 3-Ethoxy-2-hydroxybenzaldehyde 2,4-dinitrophenylhydrazone <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
| Authors of publication | Zhao, Lin-xiu; Cui, Jian-lan; Cao, Duan-lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | o2205 |
| a | 7.107 ± 0.0006 Å |
| b | 7.72 ± 0.0007 Å |
| c | 19.479 ± 0.0019 Å |
| α | 84.677 ± 0.007° |
| β | 81.562 ± 0.007° |
| γ | 68.707 ± 0.008° |
| Cell volume | 984.1 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1179 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.738 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181195 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/74. |
2227480.cif 2227480.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227480.cif 2227480.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227480.cif 2227480.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2227480.cif 2227480.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227480.cif 2227480.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227480.cif 2227480.hkl |
| 4517 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227480 via cif-deposit CGI script. |
2227480.cif |
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.