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Information card for entry 7242980
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Coordinates | 7242980.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,6-diamino-4-chloro-3-fluorobenzonitrile and 18-crown-6, 1:1 co-crystal |
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Formula | C19 H29 Cl F N3 O6 |
Calculated formula | C19 H29 Cl F N3 O6 |
Title of publication | Co-crystals of polyhalogenated diaminobenzonitriles with 18-crown-6: effect of fluorine on the stoichiometry and supramolecular structure |
Authors of publication | Vaganova, Tamara A.; Gatilov, Yurij V.; Malykhin, Sergey E.; Pishchur, Denis P.; Sukhov, Maxim; Zakharov, Boris A.; Boldyreva, Elena V.; Malykhin, Evgenij V. |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 27 |
Pages of publication | 4767 - 4781 |
a | 27.0089 ± 0.0013 Å |
b | 10.124 ± 0.0005 Å |
c | 17.2092 ± 0.0007 Å |
α | 90° |
β | 97.123 ± 0.002° |
γ | 90° |
Cell volume | 4669.3 ± 0.4 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.118 |
Residual factor for significantly intense reflections | 0.0815 |
Weighted residual factors for significantly intense reflections | 0.2553 |
Weighted residual factors for all reflections included in the refinement | 0.2998 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7242980.html
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