Synthon polymorphs of 1 : 1 co-crystal of 5-fluorouracil and 4-hydroxybenzoic acid: their relative stability and solvent polarity dependence of grinding outcomes

CrystEngComm ◽  
2014 ◽  
Vol 16 (28) ◽  
pp. 6450-6458 ◽  
Author(s):  
Song Li ◽  
Jia-Mei Chen ◽  
Tong-Bu Lu

Two synthon polymorphs of 1 : 1 co-crystals of 5-fluorouracil and 4-hydroxybenzoic acid were synthesized, and the crystal structures were determined.

Author(s):  
Gerhard Laus ◽  
Volker Kahlenberg ◽  
Thomas Gelbrich ◽  
Sven Nerdinger ◽  
Herwig Schottenberger

Mutual carboxyl–carboxyl O—H...O hydrogen bonds link the molecules of the title compound, C7H5BrO3, into centrosymmetric dimers which display a centralR22(8) ring motif. In addition, there is an intramolecular hydroxyl–carboxyl O—H...O interaction present. A comparison with the crystal structures of 59 other substituted derivatives of salicylic acid shows that both the centrosymmetric carboxyl–carboxyl O—H...O dimer and the stacking mode of molecules along the shortaaxis observed in the title structure are frequent packing motifs in this set.


1997 ◽  
Vol 53 (5) ◽  
pp. 812-821 ◽  
Author(s):  
J. C. Cole ◽  
J. M. Cole ◽  
G. H. Cross ◽  
M. Farsari ◽  
J. A. K. Howard ◽  
...  

The crystal structures of {4-[bis(diethylamino)methylium]phenyl}dicyanomethanide (I), {4-[cyano(4-methylpiperidyl)methylium]phenyl } dicyanomethanide (II), {4-[cyano(1-pyrrolidinyl)methylium]phenyl}dicyanomethanide (IV) and (Z)-{4-[1,3-dicyano-3-(diethylamino)-2-propenylium]phenyl} dicyanomethanide have been determined by X-ray crystallography. Together with (Z)-{4-[1-cyano-3-(diethylamino)-2-propenylium]phenyl}dicyanomethanide [(III): Cole, J. C., Howard, J. A. K., Cross, G. H. & Szablewski, M. (1995). Acta Cryst. C51, 715–718], these compounds exhibit varying degrees of quinoidal characteristics and yet have predominantly zwitterionic ground state character. The presence of high dipole moments in the crystal can thus be inferred and are substantiated by measurements of high solution-state dipole moments. Negative solvatochromism (hypsochromism on increasing solvent polarity) confirms the zwitterionic character in at least two of the series.


2014 ◽  
Vol 26 (4) ◽  
pp. 1253-1265 ◽  
Author(s):  
Cun-Jie Lin ◽  
Jian-Qing Xu ◽  
Yue-Qing Zheng ◽  
Hong-Lin Zhu ◽  
Wei Xu

Polyhedron ◽  
2016 ◽  
Vol 113 ◽  
pp. 132-143 ◽  
Author(s):  
Min Chen ◽  
Min Hu ◽  
Wen-Ming Xu ◽  
E. Carolina Sañudo ◽  
Shao-Ming Fang ◽  
...  

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