A 1:1 Cocrystal of Caffeine and 2-Hydroxy-1-Naphthoic Acid Obtained via a Slurry Screening Method

被引：0
|
作者：
Bucar, Dejan-Kresimir [1 ,2 ]
Henry, Rodger F. [3 ]
Duerst, Richard W. [4 ]
Lou, Xiaochun [1 ]
MacGillivray, Leonard R. [2 ]
Zhang, Geoff G. Z. [1 ]
机构：
[1] Abbott Labs, Global Pharmaceut R&D, Solid State Sci, N Chicago, IL 60064 USA
[2] Univ Iowa, Dept Chem, Iowa City, IA 52242 USA
[3] Abbott Labs, Struct Chem Global Pharmaceut R&D, Abbott Pk, IL 60064 USA
[4] Abbott Labs, Microscopy Grp Global Pharmaceut R&D, Abbott Pk, IL 60064 USA
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2010年 / 40卷 / 11期
关键词：
Cocrystal screening; Caffeine; Pharmaceutical cocrystals; Self-assembly; Polymorph screening; MEDIATED PHASE-TRANSFORMATION; CO-CRYSTAL; PHARMACEUTICAL COCRYSTAL; COMPLEXES;
D O I：
10.1007/s10870.010.9766.y
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
A cocrystal of caffeine (cat) and 2-hydroxy-1-naphthoic acid (2H1NA), namely, (cat) (2H1NA), was discovered via a screening method based on solution-mediated phase transformation (SMPT) The components crystallize as a two-component hydrogen-bonded assembly involving both an intermolecular O-H N and intramolecular O-H O hydrogen bond The assemblies stack parallel and offset Crystal data monoclinic P 2(1)/n space group, a = 7 909(2) A, b = 15 275(5) A, c = 14 704(5) A, beta = 103 66(1)degrees, Z = 4, V = 1726 1(9) A(3), D(c) = 1 471 g/cm(3) and R(1) = 0 081, wR(2) = 0 163 The cocrystal (cat) (2H1NA) was also subjected to polymorph screening using 15 different solvents, with all resulting solids being identified as the original form
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收藏
页码：933 / 939
页数：7
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