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The crystal structures of N-methylcholamide quarterhydrate (N-methyl-3α,7α,12α-trihydroxy-5β-cholan-24-amide 0.25-hydrate, C25H43NO4.0.25H2O) recrystallized from acetone by diffusion of water, N-methylcholamide sesquihydrate (N-methyl-3α,7α,12α-trihydroxy-5β-cholan-24-amide 1.5-hydrate, C25H43NO4.1.5H2O), recrystallized from a 10:1 ethyl acetate-absolute ethanol solution by slow evaporation, and N,N-dimethylcholamide hemihydrate (N,N-dimethyl-3α,7α,12α-trihydroxy-5β-cholan-24-amide 0.5-hydrate, C26H45NO4.0.5H2O) recrystallized from a 1:1 absolute methanolethyl acetate solution by slow evaporation, have been determined. These structures are the first reported crystal structures of both N-methylcholamide and N,N-dimethylcholamide. Each structure contains water molecules that sit on special positions. The N-methylcholamide sesquihydrate and N,N-dimethylcholamide hemihydrate forms are isostructural.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks global, I, II, III

fcf

Structure factor file (CIF format)
Contains datablock I

fcf

Structure factor file (CIF format)
Contains datablock N2CMMEOH

hkl

Structure factor file (CIF format)
Contains datablock NCAMET

CCDC references: 128478; 128479; 128480

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