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Information card for entry 2019142
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| Coordinates | 2019142.cif |
|---|---|
| Structure factors | 2019142.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane |
|---|---|
| Chemical name | 5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one] |
| Formula | C13 H18 N6 O2 S2 |
| Calculated formula | C13 H18 N6 O2 S2 |
| Title of publication | 5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon |
| Authors of publication | Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | 1043 - 1046 |
| a | 19.862 ± 0.006 Å |
| b | 7.4877 ± 0.0019 Å |
| c | 14.236 ± 0.005 Å |
| α | 90° |
| β | 133.61 ± 0.02° |
| γ | 90° |
| Cell volume | 1533 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0536 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180860 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91. |
2019142.cif 2019142.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019142.cif 2019142.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019142.cif 2019142.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019142.cif 2019142.hkl |
| 88716 | 2013-10-02 | cif/ Adding structures of 2019142 via cif-deposit CGI script. |
2019142.cif |
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Users of the data should acknowledge the original authors of the
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