Polymorphism in Caffeine Citric Acid Cocrystals

被引：17
作者：
Smit, Jared P. [1 ]
Hagen, Eric J. [1 ]
机构：
[1] SSCI, W Lafayette, IN 47906 USA
来源：
JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2015年 / 45卷 / 03期
关键词：
Caffeine; Citric acid; Cocrystal; Polymorphism; CRYSTAL-STRUCTURE; SOLID-STATE; MOLECULAR-COMPLEXES; PHARMACEUTICAL COCRYSTALLIZATION; GALLOCATECHIN GALLATE; CONFORMATION; SULFONAMIDES; SOLUBILITY; RECEPTORS; NETWORKS;
D O I：
10.1007/s10870-015-0573-3
中图分类号：
O7 [晶体学];
学科分类号：
0702 ; 070205 ; 0703 ; 080501 ;
摘要：
A second polymorph of an anhydrous 1:1 caffeine citric acid cocrystal (C8H10N4O2, C6H8O7) is reported. Crystals were analyzed using single crystal X-ray diffraction and the structure was solved in the monoclinic space group P2(1)/c with unit cell parameters a = 13.7783(8) , b = 12.3149(8) , c = 9.6587(6) , and beta = 92.854(4)A degrees. The three dimensional hydrogen bonding network is compared to the two dimensional network of the previously reported polymorph. A second polymorph of an anhydrous 1:1 caffeine citric acid cocrystal (C8H10N4O2, C6H8O7) is reported, and the three dimensional hydrogen bonding network is compared to the two dimensional network of the previously reported polymorph.
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收藏
页码：128 / 133
页数：6
相关论文
共 46 条
[1]   The Cambridge Structural Database: a quarter of a million crystal structures and rising [J].
Allen, FH .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (3 PART 1) :380-388
[2]  
[Anonymous], 2007, APEX2 SAINT
[3]   Current options in the management of apnea of prematurity [J].
Bhatia, J .
CLINICAL PEDIATRICS, 2000, 39 (06) :327-336
[4]   Supramolecular Assembly of Protonated Xanthine Alkaloids in Their Perchlorate Salts [J].
Biradha, Kumar ;
Samai, Suman ;
Maity, Annada C. ;
Goswami, Shyamaprosad .
CRYSTAL GROWTH & DESIGN, 2010, 10 (02) :937-942
[5]   Extraction of radio-labelled xanthine derivatives by artificial receptors:: Deep insight into the association behaviour [J].
Bomkamp, Martin ;
Siering, Carsten ;
Landrock, Karin ;
Stephan, Holger ;
Froehlich, Roland ;
Waldvogel, Siegfried R. .
CHEMISTRY-A EUROPEAN JOURNAL, 2007, 13 (13) :3724-3732
[6]   Co-crystals of caffeine and hydroxy-2-naphthoic acids: Unusual formation of the carboxylic acid dimer in the presence of a heterosynthon [J].
Bucar, Dejan-Kresimir ;
Henry, Rodger F. ;
Lou, Xiaochun ;
Duerst, Richard W. ;
Borchardt, Thomas B. ;
MacGillivray, Leonard R. ;
Zhang, Geoff G. Z. .
MOLECULAR PHARMACEUTICS, 2007, 4 (03) :339-346
[7]   Cocrystals of Caffeine and Hydroxybenzoic Acids Composed of Multiple Supramolecular Heterosynthons: Screening via Solution-Mediated Phase Transformation and Structural Characterization [J].
Bucar, Dejan-Kresimir ;
Henry, Rodger F. ;
Lou, Xiaochun ;
Duerst, Richard W. ;
MacGillivray, Leonard R. ;
Zhang, Geoff G. Z. .
CRYSTAL GROWTH & DESIGN, 2009, 9 (04) :1932-1943
[8]   MOLECULAR-COMPLEXES OF SULFONAMIDES .2. 1/1 COMPLEXES BETWEEN DRUG MOLECULES - SULFADIMIDINE ACETYLSALICYLIC-ACID AND SULFADIMIDINE-4-AMINOSALICYLIC ACID [J].
CAIRA, MR .
JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH, 1992, 22 (02) :193-200
[9]   MOLECULAR-COMPLEXES OF SULFONAMIDES .1. 1-1 COMPLEXES BETWEEN SULFADIMIDINE [4-AMINO-N-(4,6-DIMETHYL-2-PYRIMIDINYL)BENZENESULFONAMIDE] AND 2-AMINOBENZOIC AND 4-AMINOBENZOIC ACIDS [J].
CAIRA, MR .
JOURNAL OF CRYSTALLOGRAPHIC AND SPECTROSCOPIC RESEARCH, 1991, 21 (05) :641-648
[10]   Structure-Stability Relationships in Cocrystal Hydrates: Does the Promiscuity of Water Make Crystalline Hydrates the Nemesis of Crystal Engineering? [J].
Clarke, Heather D. ;
Arora, Kapildev K. ;
Bass, Heather ;
Kavuru, Padmini ;
Ong, Tien Teng ;
Pujari, Twarita ;
Wojtas, Lukasz ;
Zaworotko, Michael J. .
CRYSTAL GROWTH & DESIGN, 2010, 10 (05) :2152-2167
12345