title: Observation of a reversible isomorphous phase transition and an interplay of "σ-holes" and "π-holes" in Fmoc-Leu-ψ[CH2-NCS].
abstract: Fmoc-Leu-ψ[CH2NCS] undergoes a reversible isomorphous phase transition upon cooling. The crystal structure at 100 K displays a short N=C=S···N=C=S intermolecular interaction, which has been characterized based on experimental charge density analysis, as a stabilizing interaction with both σ-holes and π-holes acting cooperatively.
authors.affiliation: Solid state and Structural Chemistry Unit, Indian Institute of Science, Bangalore-560012, India. ssctng@sscu.iisc.ernet.in.
authors.forename: Rumpa
authors.initials: R
authors.lastname: Pal
authors.forename: Govindappa
authors.initials: G
authors.lastname: Nagendra
authors.forename: M
authors.initials: M
authors.lastname: Samarasimhareddy
authors.forename: Vommina V
authors.initials: VV
authors.lastname: Sureshbabu
authors.forename: Tayur N
authors.initials: TN
authors.lastname: Guru Row
mesh_terms: D000596:Amino Acids / Q000737:chemistry*; D005449:Fluorenes / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D044367:Phase Transition
chemical_list: C496789:9-fluorenylmethoxycarbonyl; D000596:Amino Acids; D005449:Fluorenes