Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227802
Preview
| Coordinates | 2227802.cif |
|---|---|
| Structure factors | 2227802.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>^1^,<i>N</i>^2^-Bis[(2-chloro-6-methylquinolin-3-yl)methylidene]ethane- 1,2-diamine |
|---|---|
| Formula | C24 H20 Cl2 N4 |
| Calculated formula | C24 H20 Cl2 N4 |
| SMILES | Clc1nc2ccc(cc2cc1/C=N/CC/N=C/c1cc2cc(C)ccc2nc1Cl)C |
| Title of publication | <i>N</i>^1^,<i>N</i>^2^-Bis[(2-chloro-6-methylquinolin-3-yl)methylidene]ethane-1,2-diamine |
| Authors of publication | Prasath, R.; Bhavana, P.; Butcher, Anand M.; Butcher, Ray J.; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2869 |
| a | 4.4088 ± 0.0008 Å |
| b | 7.2008 ± 0.0011 Å |
| c | 16.9383 ± 0.0018 Å |
| α | 84.236 ± 0.011° |
| β | 87.924 ± 0.012° |
| γ | 78.698 ± 0.014° |
| Cell volume | 524.57 ± 0.14 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181199 (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 2/22/78. |
2227802.cif 2227802.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. |
2227802.cif 2227802.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227802.cif 2227802.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. | 2227802.cif 2227802.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227802.cif 2227802.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227802.cif 2227802.hkl |
| 4839 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227802 via cif-deposit CGI script. |
2227802.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.