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Information card for entry 7204572
Preview
Coordinates | 7204572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25.4 Cl N4 O6.2 |
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Calculated formula | C21 H25 Cl N4 O6.2 |
Title of publication | Pseudo-polymorphism and crystal engineering: hydrogen-bonded supramolecular networks in trimethoprim m-chlorobenzoate and trimethoprim m-chlorobenzoate dihydrate |
Authors of publication | Baskar Raj, S.; Muthiah, P. T.; Rychlewska, U.; Warzajtis, B. |
Journal of publication | CrystEngComm |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 9 |
Pages of publication | 48 |
a | 7.271 ± 0.001 Å |
b | 9.144 ± 0.002 Å |
c | 16.674 ± 0.003 Å |
α | 86.93 ± 0.03° |
β | 80.92 ± 0.03° |
γ | 85.43 ± 0.03° |
Cell volume | 1090.3 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0887 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
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/7204572.html
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Users of the data should acknowledge the original authors of the
structural data.