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3-(4-Methyl-piperazin-1-yl)isobenzofuran-1(3H)-one.

ABSTRACT: In the mol-ecule of the title compound, C(13)H(16)N(2)O(2), the phthalide ring system is virtually planar, with a dihedral angle between the fused five- and six-membered rings of 1.17?(4)°. The methyl-piperazine ring adopts a chair conformation. In the crystal structure, inter-molecular C-H?O and C-H?N hydrogen bonds link the mol-ecules, generating edge-fused R(3) (3)(17) ring motifs, to form a three-dimensional network.

SUBMITTER: Odabasoglu M

PROVIDER: S-EPMC2961237 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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3-(4-Methyl-piperazin-1-yl)isobenzofuran-1(3H)-one.

Odabaşoğlu Mustafa M Büyükgüngör Orhan O

Acta crystallographica. Section E, Structure reports online 20080402 Pt 5

In the mol-ecule of the title compound, C(13)H(16)N(2)O(2), the phthalide ring system is virtually planar, with a dihedral angle between the fused five- and six-membered rings of 1.17 (4)°. The methyl-piperazine ring adopts a chair conformation. In the crystal structure, inter-molecular C-H⋯O and C-H⋯N hydrogen bonds link the mol-ecules, generating edge-fused R(3) (3)(17) ring motifs, to form a three-dimensional network. ...[more]

PMID: 21202272

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