Syntheses, Crystal Structures and Hydrogen-bonding Motif of Two Glycoluril Derivatives  

作　　者：LIU Xue-Mei WANG Dong-Hua SONG Xin-Jian WANG Jun-Gang 刘雪梅;王东华;宋新建;王军刚(Key Laboratory of Biologic Resources Protection and Utilization of Hubei Province, Hubei University for Nationalities, Enshi 445000, China;School of Chemical Engineering, Guizhou Minzu University, Guiyang 550025, China)

机构地区：[1]Key Laboratory of Biologic Resources Protection and Utilization of Hubei Province, Hubei University for Nationalities, Enshi 445000, China [2]School of Chemical Engineering, Guizhou Minzu University, Guiyang 550025, China

出　　处：《Chinese Journal of Structural Chemistry》2019年第5期754-760,669,共8页结构化学（英文）

基　　金：supported by the Natural Science Foundation of Hubei Province(No.2017CFB355);the State Undergraduate Innovative Training Program(No.201610517012)

摘　　要：The synthesis and aggregation behavior of two glycoluril derivatives were descrybed.The crystal of compound 1 belongs to the triclinic system,space group ■,with a=8.946（1）,b=13.445（2）,c=20.361（3）?,α=89.517（3）,β=84.405（3）,γ=86.325（3）°,Z=2,V=2432.1（6）?3,Dc=1.293 g·cm-3,C48H34N6O6·2DMSO,Mr=947.07,F（000）=992,μ=0.170 mm-1,the final R=0.1606 and wR=0.2410 for 4382 observed reflections（Ⅰ>2σ（Ⅰ））.The crystal of compound 2belongs to the monoclinic system,space group P21/c,with a=9.500（3）,b=24.522（8）,c=17.997（6）?,Z=2,V=4054（2）?3,Dc=1.296 g·cm-3,C48H34N6O6,Mr=790.81,F（000）=1648,μ=0.087mm-1,the final R=0.2146 and wR=0.2535 for 2878 observed reflections（Ⅰ>2σ（Ⅰ））.Unlike the highly conserved R22（8）hydrogen-bonding amide···amide homosynthon,the structural analysis indicated that compound 1 selected the C（20）hydrogen-bonding motif and 2 selected the R22（34）hydrogen-bonding motif,which revealed the competition from remote solvent molecule and the interference of the molecular hydrocarbon core in crystal packing.The supramolecular structure revealed molecule 1 is further linked into a one-dimensional chain and 2 into a two-dimensional interwoven plane by N–H···N hydrogen bonds.

关 键 词：hydrogen bond GLYCOLURIL supramolecuclar SYNTHONS crystal engineering 

分 类 号：TQ[化学工程]