摘要
Three new solvates of 4,6-diamino-2-cyclopropylamino-5-pyrimidine carbonitrile(DCL):crystal 1(DCL with N,N-dimethylformamide(DMF)),crystal 2(DCL with methanol)and crystal 3(DCL with water)were synthesized and characterized by single-crystal X-ray diffraction,thermal behaviour,Hirshfeld surface and powder X-ray powder diffraction(PXRD).1H and ^(13)C NMR spectra confirm solvent molecules existing in the crystal lattice.Crystal 1 forms a 1:1 DCL:DMF crystal;crystal 2 gives a 1:0.5 DCL:methanol crystal and crystal 3 gets a 1:1.5 DCL:H_(2)O crystal.The three crystals are all primarily stabilized by a strong N–H×××N hydrogen bonding interaction between DCL and the solvents.The structures are stabilized by H×××H,N–H×××O,N–H×××N and O–H×××O intermolecular interactions.When crystal 2 is dried at 150℃,the new polymorph with no solvate is obtained.
作者
GE Shu-Wang
SUN Bai-Wang
葛书旺;孙柏旺(School of Chemistry and Chemical Engineering,Southeast University,Nanjing 210096,China)
基金
supported by the National Natural Science Foundation of China (Nos. 21371031 and 21628101)
