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Information card for entry 2237237
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Coordinates | 2237237.cif |
---|---|
Structure factors | 2237237.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide |
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Formula | C19 H15 N3 O2 |
Calculated formula | C19 H15 N3 O2 |
SMILES | O=C(c1ccccc1)Nc1cccc(n1)NC(=O)c1ccccc1 |
Title of publication | <i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide |
Authors of publication | Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 1 |
Pages of publication | o102 |
a | 5.0314 ± 0.0001 Å |
b | 5.0314 ± 0.0001 Å |
c | 58.701 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1486.01 ± 0.09 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for all reflections | 0.0516 |
Residual factor for significantly intense reflections | 0.0441 |
Weighted residual factors for significantly intense reflections | 0.0866 |
Weighted residual factors for all reflections included in the refinement | 0.0895 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181294 (current) | 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 2/23/72. |
2237237.cif 2237237.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. |
2237237.cif 2237237.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237237.cif 2237237.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. | 2237237.cif 2237237.hkl |
75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237237.cif 2237237.hkl |
73466 | 2013-02-20 | cif/ Adding structures of 2237237 via cif-deposit CGI script. |
2237237.cif |
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Users of the data should acknowledge the original authors of the
structural data.