氢键
吡嗪酰胺
异烟肼
化学
Crystal(编程语言)
氨基水杨酸
结晶学
晶体结构
质子
立体化学
分子
肺结核
有机化学
病理
物理
程序设计语言
药理学
医学
量子力学
计算机科学
作者
P. Grobelny,Arijit Mukherjee,Gautam R. Desiraju
出处
期刊:CrystEngComm
[The Royal Society of Chemistry]
日期:2011-01-01
卷期号:13 (13): 4358-4358
被引量:153
摘要
Two drug-drug co-crystals of the anti-tuberculosis drugs isoniazid (INH), pyrazinamide (PYR) and 4-aminosalicylic acid (PAS) are reported. The first is the 1 : 1 molecular complex of INH and PAS. The second is the monohydrate of the 1 : 1 complex of PYR and PAS. The crystal structures of both co-crystals are characterized by a number of hydrogen bonded synthons. Hydrogen bonding of the COOH⋯Npyridine type is found in both cases. In the INH : PAS co-crystal, there are two symmetry independent COOH⋯Npyridine hydrogen bonds. In one of these, the H-atom is located on the carboxylic group and is indicative of a co-crystal. In the second case, partial proton transfer occurs across the hydrogen bond, and the extent of proton transfer depends on the temperature. This is more indicative of a salt. Drug-drug co-crystals may have some bearing in the treatment of tuberculosis.
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