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1,1-Diethyl-3-(4-meth-oxy-benzo-yl)thio-urea.

ABSTRACT: In the title compound, C(13)H(18)N(2)O(2)S, the 4-meth-oxy-benzoyl fragment is approximately planar [maximum deviation = 0.057?(2)?Å] and twisted relative to the thio-amide fragment, forming a dihedral angle of 86.62?(6)°. The two Csp(2)-Nsp(2) bonds in the thio-urea unit differ significantly in length [1.327?(2) and 1.431?(2)?Å]. In the crystal, N-H?O hydrogen bonds link the mol-ecules into chains parallel to [010].

SUBMITTER: Al-Abbasi AA

PROVIDER: S-EPMC3239051 | biostudies-literature | 2011 Dec

REPOSITORIES: biostudies-literature

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1,1-Diethyl-3-(4-meth-oxy-benzo-yl)thio-urea.

Al-Abbasi Aisha A AA Mohamed Tahir Mohamed Ibrahim MI Kassim Mohammad B MB

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

In the title compound, C(13)H(18)N(2)O(2)S, the 4-meth-oxy-benzoyl fragment is approximately planar [maximum deviation = 0.057 (2) Å] and twisted relative to the thio-amide fragment, forming a dihedral angle of 86.62 (6)°. The two Csp(2)-Nsp(2) bonds in the thio-urea unit differ significantly in length [1.327 (2) and 1.431 (2) Å]. In the crystal, N-H⋯O hydrogen bonds link the mol-ecules into chains parallel to [010]. ...[more]

PMID: 22199899

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3-(3-Meth-oxy-benzo-yl)-1,1-diphenyl-thio-urea.

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4-Hy-droxy-2-[(4-iodo-benzo-yl)meth-yl]-3-(3-meth-oxy-benzo-yl)-2H-1,2-benzothia-zine 1,1-dioxide.

Project description:In the title mol-ecule, C(24)H(18)INO(6)S, the heterocyclic thia-zine ring adopts a half-chair conformation, with the S and N atoms displaced by 0.381?(5) and -0.449?(5)?Å, respectively, from the plane formed by the remaining atoms in the ring; the puckering parameters are Q = 0.550?(2)?Å, ? = 61.7?(2)° and ? = 31.4?(3)°. The conformation is stabilized by an intra-molecular O-H?O hydrogen bond. The two nonfused benzene rings lie almost parallel to each other [dihedral angle = 9.18?(4)°], with a separation of 3.754?(2)?Å between the centres of gravity of the two rings, indicating strong ?-? inter-actions.

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1-(2-Hy-droxy-eth-yl)-3-(3-meth-oxy-phen-yl)thio-urea.

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