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

The synthesis and aggregation behavior of two glycoluril derivatives were descrybed.The crystal of compound 1 belongs to the triclinic system,space group P1,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)A,Z=2,V=4054(2)A^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.

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.