Author:
Lynch Daniel E.,Jones Glyn D.
Abstract
The geometry of the R_2^2(8) graph set formed between a 2-aminoheterocyclic ring containing an Nsp
2 atom (in the 1-position of the ring) and a carboxylic acid has been studied. Collating data from known co-crystal structures containing five- and six-membered heterocyclic rings from the Cambridge Structural Database revealed unexpected differences between two kinds of non-hydrogen contact distances, and between specific bond distances and angles of the heterocycle. Not only were the interatomic non-hydrogen distances between the N atoms (heterocycle) and O atoms (carboxylate) asymmetric, but also the 2-amino N atom (N21) to the heterocyclic C atom (C2) bond was shorter than the C2 to N1sp
2 bond. However, this shortening of the C2—N21 bond was not observed in the examples where N21 was substituted with a non-H atom. For the six-membered rings the data also showed that as the C2—N21 bond shortened the N1—C2—N21 bond angle increased.
Publisher
International Union of Crystallography (IUCr)
Subject
General Biochemistry, Genetics and Molecular Biology,General Medicine
Cited by
82 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. 2D-3D supramolecular assemblies containing 2-amino-4,6-dimethoxypyrimidine and carboxylic acids: Preparation, crystallographic characterization, and Hirshfeld surface analysis;Journal of Molecular Structure;2024-01
2. Phenanthroline‐Decorated Covalent Organic Framework for Catalytic Synthesis of 2‐Aminobenzothiazoles in Water;ChemPlusChem;2023-11-22
3. Synthesis, crystal growth, optical, thermal, electrical and theoretical investigation on 1,2,3- benzotriazole 2-chloro 4-nitrobenzoic acid (BCNB) single crystal for nonlinear optical (NLO) applications;Inorganic Chemistry Communications;2023-11
4. Growth and characterization of organic NLO single crystal 1,2,3-Benzotriazole 4-chloro-2-Nitrobenzoic acid;Journal of Materials Science: Materials in Electronics;2023-10
5. Twelve Salts Fabricated from 2-amino-5-methylthiazole and Carboxylic Acids through Combination of Classical H-bonds and Weak Noncovalent Associations;Journal of Molecular Structure;2022-09