Structural, quantum chemical, vibrational and thermal studies of a hydrogen bonded zwitterionic co-crystal (nicotinic acid: pyrogallol)

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• 作者：E. Arockia Jeya Yasmi Prabha^a ; S. Suresh Kumar^a ; S. Athimoolam^a ; ^{athi81s@yahoo.co.in} ; B. Sridhar^b
• 关键词：Nicotinic acid pyrogallol co-crystal ; Structural characteristics ; Vibrational spectral analysis ; DFT studies ; Thermal analysis ; Anti-cancer activity
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 February 2017
• 年：2017
• 卷：1129
• 期：Complete
• 页码：113-120
• 全文大小：1850 K
• 卷排序：1129

文摘

New zwitterionic co-crystal of Nicotinic acid pyrogallol (NICPY) was grown. Structural characteristic study confirms the stabilization intermolecular hydrogen bond formation. Vibrational spectral analysis has been carried out experimentally and validated theoretically. Thermal, solubility and DFT studies have been carried out. Anti-cancer activity of the co-crystal has been examined.