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Carvedilol dihydrogen phosphate hemihydrate: a powder study.

Chernyshev VV, Machula AA, Kukushkin SY, Velikodny YA - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.

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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.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of (I) with the atomic numbering and 40% displacement spheres. H atoms are not shown.
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Fap1: The molecular structure of (I) with the atomic numbering and 40% displacement spheres. H atoms are not shown.


Carvedilol dihydrogen phosphate hemihydrate: a powder study.

Chernyshev VV, Machula AA, Kukushkin SY, Velikodny YA - Acta Crystallogr Sect E Struct Rep Online (2009)

The molecular structure of (I) with the atomic numbering and 40% displacement spheres. H atoms are not shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977435&req=5

Fap1: The molecular structure of (I) with the atomic numbering and 40% displacement spheres. H atoms are not shown.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus