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3-Methyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3,5-di-hydro-4H-imidazol-4-one.

ABSTRACT: In the title mol-ecule, C₁₇H₁₆N₂OS, the di-hydro-imidazolone ring is slightly puckered and the methyl-sulfanyl group is nearly coplanar with it. In the crystal, two sets of C-H⋯O hydrogen bonds form corrugated layers of mol-ecules parallel to the ac plane. The layers pack with normal van der Waals contacts between them.

SUBMITTER: El Moutaouakil Ala Allah A

PROVIDER: S-EPMC10171326 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature

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3-Methyl-2-(methyl-sulfan-yl)-5,5-diphenyl-3,5-di-hydro-4H-imidazol-4-one.

El Moutaouakil Ala Allah Abderrazzak A Guerrab Walid W Alsubari Abdulsalam A Mague Joel T JT Ramli Youssef Y

IUCrData 20230310 Pt 3

In the title mol-ecule, C17H16N2OS, the di-hydro-imidazolone ring is slightly puckered and the methyl-sulfanyl group is nearly coplanar with it. In the crystal, two sets of C-H⋯O hydrogen bonds form corrugated layers of mol-ecules parallel to the ac plane. The layers pack with normal van der Waals contacts between them. ...[more]

PMID: 37180352

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Synthesis, crystal structure and Hirshfeld surface of ethyl 2-[2-(methyl-sulfan-yl)-5-oxo-4,4-diphenyl-4,5-di-hydro-1H-imidazol-1-yl]acetate (thio-phenytoin derivative).

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Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

Project description:The crystal structures of three isomeric compounds of formula C14H13Cl2NO2S, namely 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R22(8) loops inter-connected via C(7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [Cg⋯Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R22(8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C(4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

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