کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1403372 1501781 2013 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural, spectroscopic (FT-IR, FT-Raman) and theoretical studies of the 1:1 cocrystal of isoniazid with p-coumaric acid
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
Structural, spectroscopic (FT-IR, FT-Raman) and theoretical studies of the 1:1 cocrystal of isoniazid with p-coumaric acid
چکیده انگلیسی

The 1:1 cocrystal of isoniazid (INH) with p-coumaric acid (pCA) has been prepared by slow evaporation method in methanol, which was crystallized in monoclinic P21/n space group having four molecules in the asymmetric unit. The cocrystal has been characterized by single crystal X-ray analysis, FTIR, FT Raman and DFT calculations. The crystal structure was stabilized by OHphenol⋯Npyridine, NH⋯OC, COOH⋯NH and CH⋯O hydrogen bonding interactions. The geometry optimized structure of the cocrystal at the B3LYP/6-31G(d,p) level of theory has been used to calculate the vibrational frequencies.


► This research paper describes the experimental and theoretical studies on a co-crystal-which are usually prepared to enhance the physiochemical property of a molecule (usually an active pharmaceutical ingredient).
► Here the API is an anti-tuberculosis drug (Isoniazid) and the cocrystal former is a nutraceutical (p-coumaric acid). This combination can be termed as a “synergistic pharmaceutical co-crystal” as p-coumaric is sure to add its inherent anti-oxidant property, etc.
► Instead of using a GRAS listed compound (as a co-crystal former)- a molecule with well documented pharmacological property has been used. This can also be programmed in such a way that the side-effects of the API can be reduced by the co-crystal former.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 1033, 6 February 2013, Pages 272–279
نویسندگان
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