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(R)-1-[(S)-(3-Cyano-thio-morpholino)carbon-yl]-2-methyl-propyl-aminium chloride dihydrate.

ABSTRACT: In the title compound, C(10)H(18)N(3)OS(+)·Cl(-)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol-ecules are connected via O-H⋯O, O-H⋯Cl, N-H⋯Cl and N-H⋯O hydrogen bonding.

SUBMITTER: Chen P

PROVIDER: S-EPMC2971975 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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(R)-1-[(S)-(3-Cyano-thio-morpholino)carbon-yl]-2-methyl-propyl-aminium chloride dihydrate.

Chen Pengfei P Liu Lele L Xiao Junhai J Zhong Wu W Li Song S

Acta crystallographica. Section E, Structure reports online 20091128 Pt 12

In the title compound, C(10)H(18)N(3)OS(+)·Cl(-)·2H(2)O, the three C atoms of the isopropyl group are disordered and were refined using a split-site mode [occupancy ratio 0.53 (3):0.47 (3)]. In the crystal, the cations, anions and water mol-ecules are connected via O-H⋯O, O-H⋯Cl, N-H⋯Cl and N-H⋯O hydrogen bonding. ...[more]

PMID: 21578974

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