Cocrystals of indole-3-acetic acid and indole-3-butyric acid: Synthesis, structural characterization and Hirshfeld surface analysis

被引：16

作者：

Abidi, Syed Sibte Asghar ^{[1
]}

Azim, Yasser ^{[1
]}

Gupta, Abhishek Kumar ^{[2
]}

Pradeep, Chullikkattil P. ^{[2
]}

机构：

[1] Aligarh Muslim Univ, ZH Coll Engn & Technol, Dept Appl Chem, Aligarh 202002, Uttar Pradesh, India

[2] Indian Inst Technol Mandi, Sch Basic Sci, Kamand 175005, Himachal Prades, India

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2018年 / 1166卷

关键词：

Indole-3-acetic acid; Indole-3-butyric acid; Cocrystals; Salt; Hirshfeld surface analysis; IMPORTANT AROMATIC-COMPOUNDS; PHARMACEUTICAL COCRYSTALS; CARBOXYLIC-ACIDS; MOLECULAR COCRYSTALS; INDOLE-DERIVATIVES; CRYSTAL-STRUCTURES; STACKING INTERACTION; DESIGN; ISOSTRUCTURALITY; PYRIMIDINES;

D O I：

10.1016/j.molstruc.2018.04.035

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A series of cocrystals and a salt of the indole-3-acetic acid (IAA) and indole-3-butyric acid (IBA) (plant hormone) with 2-aminopyrimidine (2AP), 2-amino-4,6-dimethylpyrimidine (2A-4,6-DMP) and 2,4,6-triaminopyrimidine (2,4,6-TAP) were successfully prepared, with an aim to explore the robustness of acid-aminopyrimidine synthon and its behaviour, with a change in the environment at 4,6 position of the pyrimidine ring. The formation of cocrystals/salt are examined on their Delta pKa values and were characterized by powder X-ray diffraction (PXRD), fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC) and their structures determined by single crystal X-ray diffraction (SCXRD). Additionally, Hirshfeld surface analysis was done to investigate the strength of the interactions and the overall percentage of short contacts and their impact on the overall packing. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：202 / 213

页数：12

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