Constructor graph description of the hydrogen-bonding supramolecular assembly in two ionic compounds: 2-(pyrazol-1-yl)ethylammonium chloride and diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride

Abstract

Covalent bond tables are used to generate hydrogen-bond pattern designator symbols for the crystallographically characterized title compounds. 2-(Pyrazol-1-yl)ethylammonium chloride, C(5)H(10)N(3)(+).Cl(-), (I), has three unique, strong, charge-assisted hydrogen bonds of the types N-H...Cl and N-H...N that form unary through ternary levels of graph-set interactions. Diaquadichloridobis(2-hydroxyethylammonium)cobalt(II) dichloride, [CoCl(2)(C(2)H(8)NO)(2)(H(2)O)(2)]Cl(2), (II), forms five unique charge-assisted hydrogen bonds of the types O-H...Cl and N-H...Cl. These form graph-set patterns up to the quinary level. The Co complex in (II) resides at a crystallographic inversion center; thus the number of hydrogen bonds to consider doubles due to their G-equivalence, and the handling of such a case is demonstrated.

Constructor Graphs as Useful Tools for the Classification of Hydrogen Bonded Solids: The Case Study of the Cationic (Dimethylphosphoryl)methanaminium (dpmaH+) Tecton

“…Their structural and hierarchical dependencies can easily be visualized by so-called constructor graphs. In contrast to the use of classical constructor graphs which consist of dots and arrows [10,33,34], informative icons and colored arrows are used here for the analysis and comparison of the hydrogen bonded architectures. As abstraction is ubiquitous used in chemistry, biochemistry and related fields, this modification of a mathematical tool towards a chemist-friendly design should broaden the usability of this method.…”

Dichlorido[2-(3,5-dimethyl-1H-pyrazol-1-yl-κN2)ethanamine-κN]zinc(II)

“…Imine hydrolysis in Schiff base compounds is quite common. It is usually driven by traces of water and the presence of acidic metal ions, especially in the case of the first row transition metal chlorides such as Co II (Guzei et al, 2010), Ni II (Czaun et al, 2010) and Cu II (Bu et al, 1997;Czaun et al, 2010;Koner & Ray, 2008;Sinha et al, 2003). In a recent attempt to prepare a Zn II complex from the reaction of 2-{[2-(3,5-dimethylpyrazol-1-yl)ethylimino]}-4,6-ditertbutylphenol with zinc(II) chloride, we isolated the title compound (I), a hydrolysis product of the imine to an amine.…”

Bis(2-hydroxyethanaminium) tetrachloridopalladate(II)

“…For the hydrolysis of imines in Schiff base first-row transition metal complexes, see: Chattopadhyay et al (2007); Czaun et al (2010); Guzei et al (2010); Lee et al (1948). For the use of Schiff base first-row transition metal complexes as amine protecting groups, see: Deng et al (2002); Kurita (2001); Shelley et al (1999).…”