Powder X-ray Diffraction as an Emerging Method to Structurally Characterize Organic Solids

详细信息    查看全文

• 作者：Shyam Karki ; Lá ; szló ; Fá ; biá ; n ; Tomislav Fri<img src="http ; //pubs.acs.org/images/entities/scaron.gif" border="0"><img src="http ; //pubs.acs.org/images/entities/ccaron.gif" borde
• 刊名：Organic Letters
• 出版年：2007
• 出版时间：August 2, 2007
• 年：2007
• 卷：9
• 期：16
• 页码：3133 - 3136
• 全文大小：212K
• 年卷期：v.9,no.16(August 2, 2007)
• ISSN：1523-7052

文摘

<IMG SRC="/isubscribe/journals/orlef7/9/i16/figures/ol071329tn00002.gif" ALIGN="left" HSPACE=5>

The current level of laboratory instrumentation and computational resources allows X-ray powder diffraction to be implemented into thetoolbox of organic chemists, providing a means for rapid (i.e., within a day) structural characterization of organic solids, without the need forsingle crystals. We illustrate such use of powder diffraction using two case studies of molecular cocrystals of trifluoroacetic acid and malonicacid, involving theobromine, a model active pharmaceutical ingredient. We also report on a previously unobserved conformation of malonicacid in the solid state.