Journal of Chemical Crystallography p. 208 - 212 (2016)
Update date:2022-08-05
Topics:
Wang, Zhi-guo
Yu, Wei
Zheng, He-qi
Wang, Zhi-gang
Abstract: A novel glycoluril scaffold 1, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione 5 with propanediamine and paraformaldehyde. The yielded product 1 was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P21/c with unit cell parameters a?=?10.6892(11)??, b?=?12.1226(9)??, c?=?13.7822(13)??, α?=?90°, β?=?112.620(4)°,γ?=?90°, V?=?1648.5(3)??3, Z?=?4, Dc?=?1.428, Mr?=?354.41, μ?=?0.098?mm?1, F(000)?=?752, R1?=?0.0522 and wR2?=?0.1138. Graphical Abstract: A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril.[Figure not available: see fulltext.]
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