期刊
RSC ADVANCES
卷 12, 期 19, 页码 11658-11664出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2ra02057b
关键词
-
资金
- University of the Witwatersrand
- Molecular Sciences Institute
- National Research Foundation National Equipment Programme [UID 78572]
This study obtained two crystal forms (I and II) of isoniazid through a chemical reaction, and based on experimental and computational evidence, it was concluded that form II is the most stable form.
Isoniazid was derivated with diacetone alcohol in a Schiff-base reaction in order to yield N '-[(2E)-4-hydroxy-4-methylpentan-2-ylidene]pyridine-4-carbohydrazide. The resulting product was determined to be polymorphic, exhibiting two crystal forms: form I and form II. From the crystal structure determination using SC-XRD it was determined that form I crystalizes in the C2/c space group while form II crystalizes in the P2(1)/c space group. The hydrogen bonding patterns of both forms are distinctively different from each other: form I forms a chain hydrogen bond motif by forming a hydrogen bond between the hydroxyl group and the oxygen of the amide group while form II forms dimers with a ring hydrogen bond motif forming between the hydroxyl group and the pyridine group. From DSC analysis form I and form II are enantiotropically related, with form I converting to form II at 132.3 degrees C before melting at 142.3 degrees C. Based on both experimental and computational evidence, we conclude that form I is a metastable form, with form II being the most stable form. This is another case of a disappearing polymorph.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据