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Information card for entry 7249379
Preview
Coordinates | 7249379.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (NIPht)(DMAP) |
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Chemical name | (N-iodophtalimide)(4-dimethylaminopyridine) |
Formula | C15 H14 I N3 O2 |
Calculated formula | C15 H14 I N3 O2 |
Title of publication | N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin |
Authors of publication | Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc |
Journal of publication | CrystEngComm |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 42 |
Pages of publication | 6075 - 6081 |
a | 9.2802 ± 0.0009 Å |
b | 11.898 ± 0.0011 Å |
c | 13.5467 ± 0.0011 Å |
α | 90° |
β | 100.135 ± 0.003° |
γ | 90° |
Cell volume | 1472.4 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0182 |
Residual factor for significantly intense reflections | 0.016 |
Weighted residual factors for significantly intense reflections | 0.0381 |
Weighted residual factors for all reflections included in the refinement | 0.0399 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296459 (current) | 2024-12-06 | cif/ Updating files of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 Original log message: Adding full bibliography for 7249377--7249386.cif. |
7249379.cif |
294892 | 2024-09-26 | cif/ Adding structures of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 via cif-deposit CGI script. |
7249379.cif |
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Users of the data should acknowledge the original authors of the
structural data.