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Information card for entry 7220218
Preview
| Coordinates | 7220218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl N O2 |
|---|---|
| Calculated formula | C16 H16 Cl N O2 |
| SMILES | ClC1=C(NC2CCCCC2)C(=O)c2c(C1=O)cccc2 |
| 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 | 8.1167 ± 0.001 Å |
| b | 8.3589 ± 0.001 Å |
| c | 10.5321 ± 0.0013 Å |
| α | 92.178 ± 0.01° |
| β | 104.565 ± 0.011° |
| γ | 94.094 ± 0.01° |
| Cell volume | 688.68 ± 0.15 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.1872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0392 |
| Diffraction radiation wavelength | 0.71073 Å |
| 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. |
7220218.cif |
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