rac-5-Bromo-N-benzyl-isatincreatinine ethanol monosolvate.
rac-5-Bromo-N-benzyl-isatincreatinine ethanol monosolvate.
复制标题
rac-5-溴-N-苄基-靛红肌酐乙醇单溶剂化物。
DOI：
10.1107/s160053681300038x
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发表时间：
2013
期刊：
影响因子：
--
通讯作者：
Crooks,PeterA
中科院分区：
文献类型：
--
作者：
Penthala,NarsimhaReddy;Crooks,PeterA
In the title compound [systematic name: rac-1-benzyl-5-bromo-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)-2,3-dihydro-1H-indol-2-one ethanol monosolvate], C19H17BrN4O3·C2H5OH, which crystallized as a racemate (RR and SS), the isatin ring is almost planar, with an r.m.s. deviations from the mean plane of 0.0276 (14) Å. The phenyl ring of the benzyl group makes a dihedral angle with the mean plane of the isatin ring of 87.40 (5)° and the dihedral angle between the imidazole and isatin rings is 58.56 (7)°. In the crystal, molecules are linked into two-dimensional pleated-sheet networks in the ac plane formed by O—H⋯O, N—H⋯O and O—H⋯N hydrogen bonds; within these sheets there are R44(10) rings that involve three molecules of the title compound and a single ethanol solvent molecule. In addition, there are π–π interactions between inversion-related benzyl groups, with an interplanar spacing of 3.444 (3) Å.
