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2-{4-[(1,3-Benzodioxol-5-yl)meth-yl]piperazin-1-yl}pyrimidine.

ABSTRACT: In the title compound, C16H18N4O2, known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5?(8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methyl-ene C atom forming the flap; this atom deviates by 0.232?(3)?Å from the plane defined by the remaining atoms of the 1,3-benzodioxole unit. In the crystal, C-H?? inter-actions between c-glide-related mol-ecules arrange them into columns extending along the c-axis direction. The columns related by a unit translation along the b axis are packed into (100) layers via another C-H?? inter-action involving the pyrimidine ring as an acceptor.

SUBMITTER: Wu C

PROVIDER: S-EPMC3770405 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-{4-[(1,3-Benzodioxol-5-yl)meth-yl]piperazin-1-yl}pyrimidine.

Wu Chunli C Li Jieming J Wei Huijie H Hang Ye Y Jiang Yueming Y

Acta crystallographica. Section E, Structure reports online 20130622 Pt 7

In the title compound, C16H18N4O2, known also as peribedil, the dihedral angle between the mean planes of the pyrimidine and benzene rings is 56.5 (8)°. The 1,3-dioxole fragment adopts an envelope conformation with the methyl-ene C atom forming the flap; this atom deviates by 0.232 (3) Å from the plane defined by the remaining atoms of the 1,3-benzodioxole unit. In the crystal, C-H⋯π inter-actions between c-glide-related mol-ecules arrange them into columns extending along the c-axis direction. ...[more]

PMID: 24046690

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