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1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.

ABSTRACT: The asymmetric unit of the title salt, C16H21N2O2 (+)·PF6 (-), contains half of the whole ion pair, which has crystallographic mirror symmetry. Two F atoms related by the mirror plane are disordered over two sites of equal occupancy. The dihedral angle between the central ring and the furan ring is 59.3?()°. In the crystal, the anions and cations are linked through C-H?F inter-actions, forming a three-dimensional network.

SUBMITTER: Akkurt M

PROVIDER: S-EPMC3793810 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.

Akkurt Mehmet M Akkoç Senem S Gök Yetkin Y Tahir Muhammad Nawaz MN

Acta crystallographica. Section E, Structure reports online 20130727 Pt 8

The asymmetric unit of the title salt, C16H21N2O2 (+)·PF6 (-), contains half of the whole ion pair, which has crystallographic mirror symmetry. Two F atoms related by the mirror plane are disordered over two sites of equal occupancy. The dihedral angle between the central ring and the furan ring is 59.3 ()°. In the crystal, the anions and cations are linked through C-H⋯F inter-actions, forming a three-dimensional network. ...[more]

PMID: 24109397

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