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Information card for entry 2017137
Preview
Coordinates | 2017137.cif |
---|---|
Structure factors | 2017137.hkl |
Original IUCr paper | HTML |
Chemical name | <i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4- <i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135) |
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Formula | C14.73 H19.73 N6.27 O0.87 |
Calculated formula | C14.73 H19.73 N6.27 O0.865 |
Title of publication | <i>N</i>^4^-Methyl-<i>N</i>^4^-(2-methylphenyl)-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine-4,6-diamine‒ethanol‒hydrazine (1/0.865/0.135): hydrogen-bonded ribbons containing four independent ring types |
Authors of publication | Trilleras, Jorge; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 6 |
Pages of publication | o293 - o295 |
a | 16.349 ± 0.003 Å |
b | 14.051 ± 0.002 Å |
c | 13.625 ± 0.003 Å |
α | 90° |
β | 99.308 ± 0.018° |
γ | 90° |
Cell volume | 3088.7 ± 1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1295 |
Residual factor for significantly intense reflections | 0.0654 |
Weighted residual factors for significantly intense reflections | 0.1565 |
Weighted residual factors for all reflections included in the refinement | 0.1909 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017137.html
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Users of the data should acknowledge the original authors of the
structural data.