Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate

Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate

Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described i...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2007-08, Vol.63 (8), p.o481-o483
Hauptverfasser: Guzei, Ilia A., Keter, Frankline K., Spencer, Lara C., Darkwa, James
Format: Artikel
Sprache:eng
Schlagworte:
Ammonium Chloride - chemistry
Chemical compounds
Chlorides
Crystal structure
Crystallography, X-Ray - methods
Graphs
Hydrogen Bonding
Hydrogen bonds
Models, Molecular
Models, Theoretical
Molecular Conformation
Molecular Structure
Pyrazoles - chemistry
Quaternary Ammonium Compounds - chemistry
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Zusammenfassung:Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described in terms of the first‐ through fifth‐level graph sets. A two‐dimensional constructor graph helps visualize the supramolecular assembly.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270107031952