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Information card for entry 7220217
Preview
| Coordinates | 7220217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 N O2 |
|---|---|
| Calculated formula | C17 H13 N O2 |
| SMILES | O=C1C(=CC(=O)c2c1cccc2)NCc1ccccc1 |
| Title of publication | Identification of unusual C‒Cl•••π contacts in 2-(alkylamino)-3-chloro-1,4-naphthoquinones: Effect of N-substituents on crystal packings, fluorescence, redox and anti-microbial properties |
| Authors of publication | Singh, Vinay Kumar; Verma, Sanjay Kumar; Kadu, Rahul Vilasrao; Mobin, Shaikh M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 10.8597 ± 0.0013 Å |
| b | 24.115 ± 0.004 Å |
| c | 5.0303 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1317.3 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1178 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 135767 (current) | 2015-05-08 | cif/ Adding structures of 7220215, 7220216, 7220217, 7220218, 7220219 via cif-deposit CGI script. |
7220217.cif |
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Users of the data should acknowledge the original authors of the
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