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Information card for entry 7216707
Preview
Coordinates | 7216707.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | salicylic acid:4,4'-bipyridine Form I |
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Formula | C24 H20 N2 O6 |
Calculated formula | C24 H20 N2 O6 |
SMILES | c1(ccncc1)c1ccncc1.O=C(O)c1c(O)cccc1.O=C(O)c1c(O)cccc1 |
Title of publication | Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine |
Authors of publication | Tothadi, Srinu |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 32 |
Pages of publication | 7587 |
a | 7.86 ± 0.008 Å |
b | 8.308 ± 0.008 Å |
c | 8.547 ± 0.008 Å |
α | 87.812 ± 0.014° |
β | 82.149 ± 0.003° |
γ | 65.9 ± 0.014° |
Cell volume | 504.6 ± 0.9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0483 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1194 |
Weighted residual factors for all reflections included in the refinement | 0.1228 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7216707.html
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