Issue 32, 2022

Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure

Abstract

Two novel crystal structures based on melamine and salicylic acid, with either water (I) (4 : 3 : 8 molecular ratio) or ethanol (II) (2 : 2 : 1 molecular ratio), can be treated as salt solvates. In these structures, all molecular components are bound by expanded hydrogen bonding networks consisting of N–H⋯N, N–H⋯O, O–H⋯O, and O–H⋯N interactions among the solvent molecules and acid–base complexes; these stabilize the crystal architecture. Special attention is paid to the N+–H⋯O hydrogen bonds formed between cationic melamine molecules and the ionized carboxyl group (COO) of anions of salicylic acid. These salt bridges exist as single contact or bifurcated double donor/acceptor hydrogen bonds which are additionally accompanied by N–H⋯O interactions. This present study uses quantum chemistry methods (DFT, QTAIM) to understand their nature and their energetic parameters.

Graphical abstract: Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure

Supplementary files

Article information

Article type
Paper
Submitted
19 may 2022
Accepted
24 iyn 2022
First published
27 iyn 2022
This article is Open Access
Creative Commons BY license

CrystEngComm, 2022,24, 5688-5696

Novel melamine – salicylic salt solvates and co-crystals; an analysis of the energetic parameters of the intermolecular hydrogen bonds stabilizing the crystal structure

K. Wzgarda-Raj, A. J. Rybarczyk-Pirek, S. Wojtulewski and M. Palusiak, CrystEngComm, 2022, 24, 5688 DOI: 10.1039/D2CE00684G

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