AI Article Synopsis
- The compound C(15)H(13)FN(2)O features phenyl and fluorophenyl rings at a dihedral angle of 77.92° and has a pyrazolidine ring in an envelope conformation.
- An intra-molecular C-H⋯N hydrogen bond creates a five-membered ring, while inter-molecular N-H⋯O and C-H⋯O hydrogen bonds connect adjacent molecules in the crystal.
- Additionally, there are C-H⋯π contacts involving aromatic hydrogen atoms and π-π interactions between phenyl rings, with a centroid-centroid distance of 3.926 Å.
Article Abstract
In the mol-ecule of the title compound, C(15)H(13)FN(2)O, the phenyl and fluorophenyl rings are oriented at a dihedral angle of 77.92 (3)°. The pyrazolidine ring adopts an envelope conformation. An intra-molecular C-H⋯N hydrogen bond results in the formation of a five-membered ring adopting an envelope conformation. In the crystal structure, inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules. There are C-H⋯π contacts between between aromatic H atoms and the phenyl and fluorophenyl rings. A π-π contact between phenyl rings [centroid-centroid distance = 3.926 (1) Å] is also observed.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959324 | PMC |
| http://dx.doi.org/10.1107/S1600536808026706 | DOI Listing |
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