TITLE:
Synthesis and Crystal Structure Studies of Mitomycin C Dihydrate
AUTHORS:
Yingqi Feng, Yongshou Chen, Yixin Ren, Heng Zhang, Shuang Cao
KEYWORDS:
Crystal Structure, Dihydrate, Absolute Configuration, Mitomycin C
JOURNAL NAME:
Crystal Structure Theory and Applications,
Vol.9 No.2,
March
26,
2020
ABSTRACT: The absolute configuration of mitomycin C was determinedby X-ray single crystal diffraction(CuKα), and a newcrystallinedihydrate of mitomycin C had been prepared. Theexperimentresultprovidesa definitive answerto the real absolute configuration of mitomycin C and may put an end to the disputethat bafflesresearchers for decades.At the same time, some contentious structuresabout the mitomycin C inAmerican PharmacopoeiaUSP36-NF31,Chinese pharmacopoeia2015edtionand numbers ofliteratures are marked. The absolute configurationisalso verifiedby1D (1Hand13C) and 2D (HSQC, HMBC,1H-1HCOSYandNOESY) NMR studiesindirectly. Powder X-ray diffraction (PXRD) pattern of themitomycin C dihydrateis similar to that calculated forit, whichsuggests that the purityofsampleis excellent.