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(Z)-4-Chloro-N-(1-{2-[3-(4-chloro-benzoyl)ureido]eth-yl}imidazolidin-2-yl-idene)benzamide.

ABSTRACT: The title compound, C(20)H(19)Cl(2)N(5)O(2)S, was obtained from the reaction of 4-chloro-benzoyl isothio-cyanate with diethyl-ene-triamine. The imidazolidine ring is slightly twisted with an N-C-C-N torsion angle of 15.4?(4)°, while the thio-urea moiety maintains its trans-cis geometry. The mol-ecule is stabilized by intramolecular N-H?O hydrogen bonds. The crystal structure features N-H?O, N-H?S and C-H?O hydrogen bonds and ?-? interactions between benzene rings with a centroid-centroid distance of 3.607?(3)?Å.

SUBMITTER: Adan D

PROVIDER: S-EPMC3394018 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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(Z)-4-Chloro-N-(1-{2-[3-(4-chloro-benzoyl)ureido]eth-yl}imidazolidin-2-yl-idene)benzamide.

Adan Dalina D Sapari Suhaila S Halim Siti Nadiah SN Yamin Bohari M BM

Acta crystallographica. Section E, Structure reports online 20120627 Pt 7

The title compound, C(20)H(19)Cl(2)N(5)O(2)S, was obtained from the reaction of 4-chloro-benzoyl isothio-cyanate with diethyl-ene-triamine. The imidazolidine ring is slightly twisted with an N-C-C-N torsion angle of 15.4 (4)°, while the thio-urea moiety maintains its trans-cis geometry. The mol-ecule is stabilized by intramolecular N-H⋯O hydrogen bonds. The crystal structure features N-H⋯O, N-H⋯S and C-H⋯O hydrogen bonds and π-π interactions between benzene rings with a centroid-centroid distanc ...[more]

PMID: 22798883

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