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Information card for entry 1508479
Preview
Coordinates | 1508479.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C15 H15 N O S |
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Calculated formula | C15 H15 N O S |
SMILES | s1c(N)c(c2c1CCCC2)C(=O)c1ccccc1 |
Title of publication | Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives |
Authors of publication | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. |
Journal of publication | Crystals |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 3 |
Pages of publication | 1058 - 1066 |
a | 9.208 ± 0.0004 Å |
b | 14.0485 ± 0.0007 Å |
c | 10.3826 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1343.08 ± 0.12 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0454 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1508479.cif |
176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1508479.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1508479.cif |
69306 | 2012-12-08 | cif/ Adding structures of 1508479 via cif-deposit CGI script. |
1508479.cif |
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Users of the data should acknowledge the original authors of the
structural data.