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Information card for entry 7229085
Preview
Coordinates | 7229085.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene) |
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Chemical name | (2-Methoxy-6-(naphthalen-1-yliminomethyl)-phenol)(1,4-diiodotetrafluorobenzene) |
Formula | C24 H15 F4 I2 N O2 |
Calculated formula | C24 H15 F4 I2 N O2 |
SMILES | c1(c(c(ccc1)OC)O)/C=N/c1c2ccccc2ccc1.c1(c(c(c(c(c1F)F)I)F)F)I |
Title of publication | The halogen bonding proclivity of the ortho-methoxy‒hydroxy group in cocrystals of o-vanillin imines and diiodotetrafluoro-benzenes |
Authors of publication | Zbačnik, Marija; Pajski, Matea; Stilinović, Vladimir; Vitković, Matea; Cinčić, Dominik |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 7.6601 ± 0.0003 Å |
b | 12.7245 ± 0.0005 Å |
c | 13.2834 ± 0.0006 Å |
α | 98.744 ± 0.003° |
β | 103.077 ± 0.004° |
γ | 107.441 ± 0.004° |
Cell volume | 1169.04 ± 0.09 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0825 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1463 |
Weighted residual factors for all reflections included in the refinement | 0.1567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7229085.html
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Users of the data should acknowledge the original authors of the
structural data.