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Information card for entry 7216496
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Coordinates | 7216496.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | none |
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Chemical name | 4-aminobenzoic acid + 6-aminoquinoline |
Formula | C16 H15 N3 O2 |
Calculated formula | C16 H15 N3 O2 |
SMILES | O=C([O-])c1ccc(N)cc1.[nH+]1c2ccc(cc2ccc1)N |
Title of publication | Structures of benzoic acids with substituted pyridines and quinolines: salt versus co-crystal formation |
Authors of publication | Ramon, Gaëlle; Davies, Kate; Nassimbeni, Luigi R. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 26 |
Pages of publication | 5802 |
a | 7.3345 ± 0.0015 Å |
b | 9.1868 ± 0.0018 Å |
c | 21.307 ± 0.004 Å |
α | 90° |
β | 93.3 ± 0.03° |
γ | 90° |
Cell volume | 1433.3 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7216496.html
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