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Information card for entry 2229954
Preview
Coordinates | 2229954.cif |
---|---|
Structure factors | 2229954.hkl |
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide |
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Formula | C16 H16 N2 O3 |
Calculated formula | C16 H16 N2 O3 |
SMILES | N(=C\c1ccc(OC)cc1)/NC(=O)c1ccc(OC)cc1 |
Title of publication | 4-Methoxy-<i>N</i>'-(4-methoxybenzylidene)benzohydrazide |
Authors of publication | Bi, Ye |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | o1182 |
a | 10.617 ± 0.003 Å |
b | 4.877 ± 0.002 Å |
c | 13.632 ± 0.003 Å |
α | 90° |
β | 92.409 ± 0.002° |
γ | 90° |
Cell volume | 705.2 ± 0.4 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 4 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1317 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.301 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2229954.cif 2229954.hkl |
181220 | 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 2/22/99. |
2229954.cif 2229954.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. |
2229954.cif 2229954.hkl |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229954.cif 2229954.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. | 2229954.cif 2229954.hkl |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229954.cif 2229954.hkl |
22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2229954.cif 2229954.hkl |
20010 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2229954 via cif-deposit CGI script. |
2229954.cif |
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Users of the data should acknowledge the original authors of the
structural data.