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Co-crystallization of Resorcin[4]arene Tetracarboxylic Acid with Triethylamine:Synthesis and Crystal Structure

Co-crystallization of Resorcin[4]arene Tetracarboxylic Acid with Triethylamine:Synthesis and Crystal Structure
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摘要 Treatment of resorcin[4]arene tetracarboxylic acid 1 with triethylamine in the presence of Co(CH3COO)2·4H2O and 4,4 -bipyridine gave a co-crystallization 14-·4Et3NH+(C32H20O164-·4Et3NH+,Mr=1069.27) from ethanol and water.The compound was structurally determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n,with a=8.1763(18),b=12.913(3),c=28.724(7) ,β=97.574(4)o,V=3006.3(12) 3,Z=2,Dc=1.181 g/cm3,F(000)=1152,Rint=0.0275,T=293(2) K,μ=0.086 mm-1,the final R=0.0634 and wR = 0.1752 for 5082 observed reflections with I 〉 2σ(I). The co-crystallization is very stable at room temperature. Possibly, a network of N-H…O(=C) plays an important role in the structure. Meanwhile, the compound emits a weak cyan luminescence with peak maximum band at 458 nm. Treatment of resorcin[4]arene tetracarboxylic acid 1 with triethylamine in the presence of Co(CH3COO)2·4H2O and 4,4 -bipyridine gave a co-crystallization 14-·4Et3NH+(C32H20O164-·4Et3NH+,Mr=1069.27) from ethanol and water.The compound was structurally determined by single-crystal X-ray diffraction.The crystal belongs to monoclinic,space group P21/n,with a=8.1763(18),b=12.913(3),c=28.724(7) ,β=97.574(4)o,V=3006.3(12) 3,Z=2,Dc=1.181 g/cm3,F(000)=1152,Rint=0.0275,T=293(2) K,μ=0.086 mm-1,the final R=0.0634 and wR = 0.1752 for 5082 observed reflections with I 〉 2σ(I). The co-crystallization is very stable at room temperature. Possibly, a network of N-H…O(=C) plays an important role in the structure. Meanwhile, the compound emits a weak cyan luminescence with peak maximum band at 458 nm.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2010年第1期114-120,共7页 结构化学(英文)
基金 Supported by the State Key Laboratory of Structural Chemistry (CAS) the National Natural Science Foundation of China (20733003, 20801055 and 20673118) the Science Foundation of CAS (KJCX2-YW-M05) Fujian Province (2006J0014, 2006F3132 and 2007J0171)
关键词 RESORCINARENES crystal structure supramolecular chemistry carboxylic acid derivations resorcinarenes, crystal structure, supramolecular chemistry, carboxylic acid derivations
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