2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine
نویسندگان
چکیده
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. The columns related by a unit translation along the b axis are packed into (100) layers via another C-H⋯π inter-action involving the pyrimidine ring as an acceptor.
منابع مشابه
(E)-3-(1,3-Benzodioxol-5-yl)-1-{4-[bis(4-methoxyphenyl)methyl]piperazin-1-yl}prop-2-en-1-one
There are two crystallographically independent mol-ecules in the asymmetric unit of the title compound, C(29)H(30)N(2)O(5), each having an E conformation about the C=C double bond. The dihedral angles between the meth-oxy-benzene rings in the two mol-ecules are 71.39 (17) and 68.64 (17)°. In the crystal, mol-ecules are linked by C-H⋯O inter-actions.
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In the title structure, C(25)H(24)FN(3)O(5), a strong intra-molecular O-H⋯O hydrogen bond is present between the carb-oxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, mol-ecules are held together by weak C-H⋯O, C-H⋯F and π-π [centroid-centroid distance 3.6080 (8) Å] inter-actions. The 1,4-dihydro-quinoline ring and cyclo-propyl group are not in the same plan...
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In the title salt {systematic name: 1-[(1,3-benzodioxol-5-yl)meth-yl]piperazin-1-ium 4-chloro-benzoate}, C12H17N2O2 (+)·C7H4ClO2 (-), the piperazine ring adopts a slightly disordered chair conformation. The dioxole ring is in a flattened envelope conformation with the methyl-ene C atom forming the flap. The relative orientation of the piperonyl ring system and the piperazine rings is reflected ...
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