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1-(Adamantan-1-ylcarbon-yl)-3-(2,6-difluoro-4-hy-droxy-phen-yl)thio-urea.

ABSTRACT: In the title mol-ecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hy-droxy-phenyl ring and the carbonyl-thio-urea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113?(14) and 0.1017?(15)?Å, respectively; the dihedral angle between these two planes is 71.03?(6)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, N-H?O and O-H?S hydrogen bonds connect the mol-ecules into chains running diagonally across the bc plane. C-H?S and C-H?F contacts are also observed.

SUBMITTER: Mohamed SK

PROVIDER: S-EPMC3379207 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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1-(Adamantan-1-ylcarbon-yl)-3-(2,6-difluoro-4-hy-droxy-phen-yl)thio-urea.

Mohamed Shaaban K SK Jaber Abdel-Aal M AA Saeed Sohail S Ahmad Khuram Shahzad KS Wong Wing-Tak WT

Acta crystallographica. Section E, Structure reports online 20120502 Pt 6

In the title mol-ecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hy-droxy-phenyl ring and the carbonyl-thio-urea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113 (14) and 0.1017 (15) Å, respectively; the dihedral angle between these two planes is 71.03 (6)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O and O-H⋯S hydrogen bonds connect the mol-ecules into chains running diagonally across the bc plane. C-H⋯S and C-H⋯F c ...[more]

PMID: 22719405

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