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
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container_issue 8
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container_title Acta crystallographica. Section C, Crystal structure communications
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creator Guzei, Ilia A.
Keter, Frankline K.
Spencer, Lara C.
Darkwa, James
description 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.
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subjects 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
title Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
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