Crystal Structure of N-(3-Chloropropionyl)-N'-(4-fluorophenyl)thiourea

Ismail, Nur Liyana; Yamin, Bohari Mohd.

doi:10.2116/xraystruct.25.39

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2010

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“…The benzene ring is roughly perpendicular to the propionylthiourea fragment with dihedral angle between the two planes of 82.62 (10)°. A smaller dihedral angle of 12.68 (7)° was observed in an analogous compound of N-(3-chloropropionyl)-N′(4-fluorophenyl) thiourea (II) (Ismail & Yamin, 2009).The trans-cis configuration of the propionyl and phenyl groups relative to the thiono group respectively, across their C-N bonds, is maintained. The bond lengths and angles are in normal range (Allen et al,1987) and comparable to those in (II).…”

Section: S1 Commentmentioning

confidence: 82%

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N-(3-Chloropropionyl)-N′-phenylthiourea

2010

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The title compound, C10H11ClN2OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloropropionyl groups relative to the thiono group across the C—N bonds. The benzene ring is perpendicular to the propionyl thiourea fragment with a dihedral angle of 82.62 (10)°. An intramolecular N—H⋯O interaction occurs. The crystal structure is stabilized by intermolecular N—H⋯S hydrogen bonds, which link pairs of molecules, building up R 2 2(8) ring motifs, and C—H.. π interactions.

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Section: S1 Commentmentioning

confidence: 82%

“…For related structures, see: Ismail et al (2007); Ismail & Yamin (2009). For hydrogen-bond motifs, see: Etter et al(1990); Bernstein et al (1995).…”

Section: Related Literaturementioning

confidence: 99%