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A new polymorph of 1,3-bis-(penta-fluoro-phen-yl)urea.

ABSTRACT: The title compound, C13H2F10N2O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ?). Acta Cryst. C53, 455-457]. The current P212121 polymorph was obtained from a tetra-hydro-furan solution. The penta-fluoro-phenyl rings make dihedral angles of 50.35?(6) and 54.94?(6)° with the urea fragment, in close accord with those reported for the first polymorph. In the crystal, both of the N-H groups donate H atoms to the same carbonyl O atom, forming a one-dimensional mol-ecular array along the a axis. There are close contacts between perfluoro-phenyl C atoms within the array [3.228?(3)?Å] and halogen bonds are also observed between the arrays [F?F = 2.709?(2) and 2.7323?(18)?Å].

SUBMITTER: Okuno T

PROVIDER: S-EPMC3629646 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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A new polymorph of 1,3-bis-(penta-fluoro-phen-yl)urea.

Okuno Tsunehisa T

Acta crystallographica. Section E, Structure reports online 20130328 Pt 4

The title compound, C13H2F10N2O, has been previously described in the space group Pbca with Z = 8 [Jai-nhuknan et al. (1997 ▶). Acta Cryst. C53, 455-457]. The current P212121 polymorph was obtained from a tetra-hydro-furan solution. The penta-fluoro-phenyl rings make dihedral angles of 50.35 (6) and 54.94 (6)° with the urea fragment, in close accord with those reported for the first polymorph. In the crystal, both of the N-H groups donate H atoms to the same carbonyl O atom, forming a one-dimens ...[more]

PMID: 23634133

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