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Information card for entry 7150490
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Coordinates | 7150490.cif |
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Original paper (by DOI) | HTML |
Chemical name | N,N'-bis(2-pyridyl)-1,4-diaminobenzene malonic acid co-crystal |
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Formula | C19 H18 N4 O4 |
Calculated formula | C19 H18 N4 O4 |
SMILES | c1([nH+]cccc1)Nc1ccc(Nc2cccc[nH+]2)cc1.C(=O)(CC(=O)[O-])[O-] |
Title of publication | Creation of hydrogen bonded 1D networks by co-crystallization of N,N'-bis(2-pyridyl)aryldiamines with dicarboxylic acidsSupramolecular structures formed by 2-aminopyridine derivatives. Part II.5 |
Authors of publication | Bensemann, Igor; Gdaniec, Maria; Łakomecka, Karina; Milewska, Maria J.; Połoński, Tadeusz |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 8 |
Pages of publication | 1425 |
a | 17.29 ± 0.002 Å |
b | 4.0427 ± 0.0005 Å |
c | 24.72 ± 0.003 Å |
α | 90° |
β | 93.121 ± 0.011° |
γ | 90° |
Cell volume | 1725.3 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.0986 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7150490.cif |
180290 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/04. |
7150490.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150490.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150490.cif |
11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7150490.cif |
3898 | 2010-12-09 | cif/ Adding the files from the 2004-2000-RSC/ processing directory identified for redeposition. Last page numbers were restored manually from the command line. |
7150490.cif |
966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7150490.cif |
853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
7150490.cif |
19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7150490.cif |
14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7150490.cif |
13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7150490.cif |
1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7150490.cif |
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Users of the data should acknowledge the original authors of the
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