Carvedilol dihydrogen phosphate hemihydrate: a powder study.
作者信息
Chernyshev Vladimir V, Machula Alexandre A, Kukushkin Sergei Yu, Velikodny Yurii A
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2020-1. doi: 10.1107/S1600536809029353.
Abstract
IN THE CATION OF THE TITLE COMPOUND [SYSTEMATIC NAME: 3-(9H-carbazol-4-yl-oxy)-2-hydr-oxy-N-[2-(2-methoxy-phen-oxy)eth-yl]propan-1-aminium dihydrogen phosphate hemihydrate], C(24)H(27)N(2)O(4) (+)·H(2)PO(4) (-)·0.5H(2)O, the mean planes of the tricyclic ring system and the benzene ring form a dihedral angle of 87.2 (2)°. In the crystal structure, the solvent water mol-ecule is situated on a twofold rotation axis linking two cations via O-H⋯O and N-H⋯O hydrogen bonds. The anions contribute to the formation O-H⋯O and N-H⋯O hydrogen bonds between the anions and cations, which consolidate the crystal packing.
摘要
相似文献
1
Carvedilol dihydrogen phosphate hemihydrate: a powder study.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 29;65(Pt 8):o2020-1. doi: 10.1107/S1600536809029353.
2
Carvedilol dihydrogen phosphate propan-2-ol solvate from powder diffraction data.
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 13;66(Pt 3):o613. doi: 10.1107/S1600536810005349.
3
5-[1-(3,4-Dichloro-phen-oxy)eth-yl]-1,3,4-oxadiazole-2(3H)-thione hemihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2075-6. doi: 10.1107/S1600536809029894.
4
Bis[(E)-2-(3-hydr-oxy-4-methoxy-phen-yl)ethen-yl]-1-methyl-quinolinium tetra-iodidozincate(II) methanol solvate.
Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 6;64(Pt 1):m126-7. doi: 10.1107/S1600536807064215.
5
(E)-N-Butyl-3-(3,4-dihy-droxy-phen-yl)acryl-amide hemihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o727. doi: 10.1107/S1600536812005570. Epub 2012 Feb 17.
6
2-[Bis(3,5-dimethyl-phen-yl)-phosphor-yl]-propan-2-ol hemihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1231. doi: 10.1107/S1600536808016681.
7
2-(Methoxy-carbon-yl)anilinium dihydrogen phosphate.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):o1786. doi: 10.1107/S1600536809025252.
8
3-Hydr-oxy-4-methoxy-benzaldehyde thio-semicarbazone hemihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 8;64(Pt 12):o2274-5. doi: 10.1107/S1600536808035617.
9
Methyl 2-{[(4-hydroxy-phen-yl)(methoxy-carbon-yl)meth-yl]amino-carbon-yl}ethano-ate hemihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 5;64(Pt 4):o663-4. doi: 10.1107/S1600536808005552.
10
Bis{(R)-1-(3-amino-sulfonyl-4-meth-oxy-phen-yl)-N-[2-(2-eth-oxy-phen-oxy)eth-yl]propan-2-aminium} adipate tetra-hydrate.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 9;69(Pt 4):o516-7. doi: 10.1107/S1600536813005254. Print 2013 Apr 1.
引用本文的文献
1
Small-Angle X-ray Scattering (SAXS) Used for the Identification of Nicomorphine Polymorphic Changes at the Early Stage to Avoid Varied Stability and Possible Side Effects.
Pharmaceuticals (Basel). 2024 Mar 15;17(3):375. doi: 10.3390/ph17030375.
2
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D).
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2014 Dec;70(Pt 6):1020-32. doi: 10.1107/S2052520614022902. Epub 2014 Dec 1.
3
Monoclinic form I of clopidogrel hydrogen sulfate from powder diffraction data.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 24;66(Pt 8):o2101-2. doi: 10.1107/S1600536810028783.
4
Carvedilol dihydrogen phosphate propan-2-ol solvate from powder diffraction data.
Acta Crystallogr Sect E Struct Rep Online. 2010 Feb 13;66(Pt 3):o613. doi: 10.1107/S1600536810005349.
本文引用的文献
1
Structure validation in chemical crystallography.
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
2
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
3
Protonation site and hydrogen bonding in anhydrous and hydrated crystalline forms of doxazosin mesylate from powder data.
Acta Crystallogr B. 2003 Dec;59(Pt 6):787-93. doi: 10.1107/s0108768103022729. Epub 2003 Nov 25.
Zotero 插件