典型文献
Synthesis,Crystal Structure,Spectroscopy and Hirshfeld Analysis of 4,6-Diamino-2-cyclopropylaminopyrimidine-5-carbonitrile with Different Solvents:N,N-dimethylformamide,Methanol and Water
文献摘要：
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 13C 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:H2O crystal.The three crystals are all primarily stabilized by a strong N-H…N hydrogen bond-ing 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 ob-tained.
文献关键词：
中图分类号：
作者姓名：
GE Shu-Wang;SUN Bai-Wang
作者机构：
School of Chemistry and Chemical Engineering,Southeast University,Nanjing 210096,China
文献出处：
引用格式：
[1]GE Shu-Wang;SUN Bai-Wang-.Synthesis,Crystal Structure,Spectroscopy and Hirshfeld Analysis of 4,6-Diamino-2-cyclopropylaminopyrimidine-5-carbonitrile with Different Solvents:N,N-dimethylformamide,Methanol and Water)[J].结构化学,2022(03):277-286
A类：
Diamino,cyclopropylaminopyrimidine,carbonitrile,solvates,cyclopropylamino,solvate
B类：
Synthesis,Crystal,Structure,Spectroscopy,Hirshfeld,Analysis,Different,Solvents,dimethylformamide,Methanol,Water,Three,new,diamino,DCL,DMF,methanol,water,were,synthesized,characterized,by,single,ray,diffraction,thermal,behaviour,surface,powder,PXRD,1H,13C,NMR,spectra,confirm,molecules,existing,lattice,forms,gives,gets,H2O,three,crystals,are,all,primarily,stabilized,strong,hydrogen,bond,between,solvents,structures,intermolecular,interactions,When,dried,polymorph,ob,tained
AB值：
0.488444
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