Invariant and Variable Supramolecular Self-Assembly in 6-Substituted Uracil Derivatives: Insights from X-ray Structures and Quantum Chemical Study
作者： Lamya H. Al-Wahaibi , Santiago Garcia-Granda , Mohammed S. M. Abdelbaky , M. Judith Percino , Samar S. Tawfik
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摘要: In this study, three new 6-(arylthio)uracil derivatives, namely, 6-(phenylthio)pyrimidine-2,4(1H,3H)-dione (1), C10H8N2O2S; 6-(p-tolylthio)pyrimidine-2,4(1H,3H)-dione (2), C11H10N2O2S; and 6-(3,5-d...
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sci-hub.st 参考文章(71)
Xing Li, Qian Shi, Daofeng Sun, Wenhua Bi, Rong Cao, Synthesis and Characterization of a Series of Lanthanide Complexes Constructed from Orotic Acid European Journal of Inorganic Chemistry. ,vol. 2004, pp. 2747- 2753 ,(2004) , 10.1002/EJIC.200300891
A. Gavezzotti, Calculation of Intermolecular Interaction Energies by Direct Numerical Integration over Electron Densities. 2. An Improved Polarization Model and the Evaluation of Dispersion and Repulsion Energies Journal of Physical Chemistry B. ,vol. 107, pp. 2344- 2353 ,(2003) , 10.1021/JP022288F
Siavash Riahi, Eslam Pourbasheer, Rassoul Dinarvand, Mohammad Reza Ganjali, Parviz Norouzi, Quantitative Structure-Activity Relationship Study on the Anti-HIV-1 Activity of Novel 6-Naphthylthio HEPT Analogs Chemical Biology & Drug Design. ,vol. 74, pp. 165- 172 ,(2009) , 10.1111/J.1747-0285.2009.00843.X
Carlo Gatti, Chemical bonding in crystals: new directions Zeitschrift Fur Kristallographie. ,vol. 220, pp. 399- 457 ,(2005) , 10.1524/ZKRI.220.5.399.65073
Gustavo Portalone, Redetermination of orotic acid monohydrate Acta Crystallographica Section E-structure Reports Online. ,vol. 64, ,(2008) , 10.1107/S160053680800562X
Valeska Gerhardt, Ernst Egert, Cocrystals of 6-chlorouracil and 6-chloro-3-methyluracil: exploring their hydrogen-bond-based synthon motifs with several triazine and pyrimidine derivatives. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry. ,vol. 71, pp. 209- 220 ,(2015) , 10.1107/S2052520615003790
Frank H. Allen, Ian J. Bruno, Bond lengths in organic and metal‐organic compounds revisited: X—H bond lengths from neutron diffraction data Acta Crystallographica Section B-structural Science. ,vol. 66, pp. 380- 386 ,(2010) , 10.1107/S0108768110012048
Kalpana Ghoshal, Samson T. Jacob, An alternative molecular mechanism of action of 5-fluorouracil, a potent anticancer drug Biochemical Pharmacology. ,vol. 53, pp. 1569- 1575 ,(1997) , 10.1016/S0006-2952(97)00040-3
Ali A. El-emam, Magda N.A. Nasr, Erik B. Pedersen, Tarek Fouad, Claus Nielsen, SYNTHESIS OF CERTAIN 6-(ARYLTHIO)URACILS AS POTENTIAL ANTIVIRAL AGENTS Phosphorus Sulfur and Silicon and The Related Elements. ,vol. 174, pp. 25- 35 ,(2001) , 10.1080/10426500108040231
Thom H. Dunning, Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen Journal of Chemical Physics. ,vol. 90, pp. 1007- 1023 ,(1989) , 10.1063/1.456153