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Information card for entry 2240120
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| Coordinates | 2240120.cif |
|---|---|
| Structure factors | 2240120.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-[(<i>E</i>)-(1,3-Benzodioxol-5-yl)methylidene]-4-chloroaniline |
|---|---|
| Formula | C14 H10 Cl N O2 |
| Calculated formula | C14 H10 Cl N O2 |
| SMILES | Clc1ccc(/N=C/c2cc3OCOc3cc2)cc1 |
| Title of publication | Crystal structure of <i>N</i>-[(<i>E</i>)-(1,3-benzodioxol-5-yl)methylidene]-4-chloroaniline |
| Authors of publication | García-Merinos, J. Pablo; López, Yliana; González-Campos, J. Betzabe; Aviña-Verduzco, Judit A.; Río, Rosa E. del; Santillan, Rosa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1195 - o1196 |
| a | 6.0014 ± 0.0004 Å |
| b | 13.9015 ± 0.0016 Å |
| c | 28.867 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2408.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.201 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.883 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194623 (current) | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Updating the _cod_depositor_comments data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
2240120.cif 2240120.hkl |
| 194621 | 2017-03-30 | cif/ (antanas@echidna.ibt.lt) Balancing the opening and closing italics markup tags ("<i>", "</i>") in the _chemical_name_systematic data item value in entries 2214177, 2214701, 2216351, 2217418, 2219354, 2220598, 2222330, 2222572, 2222926, 2240120, 4103194, 4105431, 4105432, 4342184, 7023203, 7112929. |
2240120.cif 2240120.hkl |
| 181901 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240120.cif 2240120.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240120.cif 2240120.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240120.cif 2240120.hkl |
| 125901 | 2014-10-26 | cif/ hkl/ Adding structures of 2240120 via cif-deposit CGI script. |
2240120.cif 2240120.hkl |
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Users of the data should acknowledge the original authors of the
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