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, C(9)H(18)N(3)(+).Cl(-).H(2)O, 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.
Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, WI 53706, USA. iguzei@chem.wisc.edu
Ilia A
IA
Guzei
Frankline K
FK
Keter
Lara C
LC
Spencer
James
J
Darkwa
D000643:Ammonium Chloride / Q000737:chemistry*; D002712:Chlorides; D018360:Crystallography, X-Ray / Q000379:methods*; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008962:Models, Theoretical; D008968:Molecular Conformation; D015394:Molecular Structure; D011720:Pyrazoles / Q000737:chemistry*; D000644:Quaternary Ammonium Compounds / Q000737:chemistry*
C523942:(3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate; D002712:Chlorides; D011720:Pyrazoles; D000644:Quaternary Ammonium Compounds; D000643:Ammonium Chloride