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Redetermination of the crystal structure of 2-oxo-1,3-thia-zolidin-4-iminium chloride.

ABSTRACT: In the redetermination of the title compound, C₃H₅N₂OS⁺·CI^-, the asymmetric unit consists of one independent 2-oxo-1,3-thia-zolidin-4-iminium cation and one independent chloride anion. The cation inter-acts with a chloride anion via N-H?Cl hydrogen bonds forming a supra-molecular chain along [010]. These supra-molecular chains are further extended by weak C-H?Cl and C-H?O inter-actions, forming a two-dimensional network parallel to (001). The crystal structure is further stabilized by weak C-O?? inter-actions, supporting a three-dimensional architecture. The structure was previously determined by Ananthamurthy & Murthy [Z. Kristallogr. (1975). 8, 356-367] but has been redetermined with higher precision to allow the hydrogen-bonding patterns and supra-molecular inter-actions to be investigated.

SUBMITTER: Muthukkumar M

PROVIDER: S-EPMC6509681 | biostudies-literature | 2019 Apr

REPOSITORIES: biostudies-literature

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Redetermination of the crystal structure of 2-oxo-1,3-thia-zolidin-4-iminium chloride.

Muthukkumar Manickam M Karthikeyan Ammasai A Poovarasan Madeshwaran M Ruckmani Vadivel V Rajaram Dhanakotti D Jegan Jennifer Samson S Abdul Razak Ibrahim I

Acta crystallographica. Section E, Crystallographic communications 20190311 Pt 4

In the redetermination of the title compound, C3H5N2OS+·CI-, the asymmetric unit consists of one independent 2-oxo-1,3-thia-zolidin-4-iminium cation and one independent chloride anion. The cation inter-acts with a chloride anion via N-H⋯Cl hydrogen bonds forming a supra-molecular chain along [010]. These supra-molecular chains are further extended by weak C-H⋯Cl and C-H⋯O inter-actions, forming a two-dimensional network parallel to (0 ...[more]

PMID: 31161053

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