Information card for entry 2104017
Common name |
doxazosin mesylate |
Chemical name |
4-Amino-2-[4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazin-1-yl]- 6,7-dimethoxyquinazoline methanesulfonate |
Formula |
C24 H29 N5 O8 S |
Calculated formula |
C24 H29 N5 O8 S |
SMILES |
[nH+]1c(nc(c2cc(c(cc12)OC)OC)N)N1CCN(CC1)C(=O)C1Oc2ccccc2OC1.S(=O)(=O)(C)[O-] |
Title of publication |
Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data |
Authors of publication |
Chernyshev, Vladimir V.; Machon, Denis; Fitch, Andrew N.; Zaitsev, Sergei A.; Yatsenko, Alexandr V.; Shmakov, Alexandr N.; Weber, Hans-Peter |
Journal of publication |
Acta Crystallographica Section B |
Year of publication |
2003 |
Journal volume |
59 |
Journal issue |
6 |
Pages of publication |
787 - 793 |
a |
35.259 ± 0.002 Å |
b |
7.7634 ± 0.0005 Å |
c |
20.9373 ± 0.0012 Å |
α |
90° |
β |
118.715 ± 0.007° |
γ |
90° |
Cell volume |
5026.3 ± 0.6 Å3 |
Cell temperature |
295 ± 2 K |
Ambient diffraction temperature |
295 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Goodness-of-fit parameter for all reflections |
2.27 |
Diffraction radiation wavelength |
0.79985 Å |
Diffraction radiation type |
synchrotron |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/2104017.html