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Crystal structure of S,N-dibenzyl-d-penicillamine monohydrate.

ABSTRACT: In the asymmetric unit of the title compound, C19H23NO2S·H2O, there are two independent organic mol-ecules and two water mol-ecules. Both organic mol-ecules exist as the zwitterionic form. The dihedral angles between the planes of the rings in the organic mol-ecules are 86.84?(10) and 88.77?(11)°. An intramolecular N-H?S hydrogen bond occurs. In the crystal, organic and water mol-ecules are linked by N-H?O and O-H?O hydrogen bonds, generating a tape structure running along the b-axis direction.

SUBMITTER: Yoshinari N

PROVIDER: S-EPMC4257258 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of S,N-dibenzyl-d-penicillamine monohydrate.

Yoshinari Nobuto N Konno Takumi T

Acta crystallographica. Section E, Structure reports online 20141029 Pt 11

In the asymmetric unit of the title compound, C19H23NO2S·H2O, there are two independent organic mol-ecules and two water mol-ecules. Both organic mol-ecules exist as the zwitterionic form. The dihedral angles between the planes of the rings in the organic mol-ecules are 86.84 (10) and 88.77 (11)°. An intramolecular N-H⋯S hydrogen bond occurs. In the crystal, organic and water mol-ecules are linked by N-H⋯O and O-H⋯O hydrogen bonds, generating a tape structure running along the b-axis direction. ...[more]

PMID: 25484833

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