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Information card for entry 2213003
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2213003.cif |
---|---|
Structure factors | 2213003.hkl |
Original IUCr paper | HTML |
Common name | irbesartan chloride 1.69-hydrate |
---|---|
Chemical name | 2-Butyl-4-oxo-3-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1- azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate |
Formula | C25 H32.38 Cl N6 O2.69 |
Calculated formula | C25 H32.372 Cl N6 O2.686 |
Title of publication | 2-Butyl-4-oxo-3-{[2'-(1<i>H</i>-tetrazol-5-yl)biphenyl-4-yl]methyl}-3-aza-1-azoniaspiro[4.4]non-1-ene chloride 1.69-hydrate (irbesartan hydrochloride 1.69-hydrate) |
Authors of publication | Bartolucci, Gianluca; Bruni, Bruno; Di Vaira, Massimo; Giannellini, Valerio |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 4 |
Pages of publication | o1529 - o1531 |
a | 8.5557 ± 0.0003 Å |
b | 25.013 ± 0.0008 Å |
c | 12.2675 ± 0.0004 Å |
α | 90° |
β | 104.415 ± 0.003° |
γ | 90° |
Cell volume | 2542.64 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0605 |
Residual factor for significantly intense reflections | 0.0499 |
Weighted residual factors for significantly intense reflections | 0.1338 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
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/2213003.html
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