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

Odabaşoğlu M, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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.

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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.

No MeSH data available.


A partial packing diagram of (I), showing the formation of R33(17) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, y + 1, z; (ii) 1 - x, 2 - y, 1/2 - z]. H atoms not involved in hydrogen bondings have been omitted for clarity.
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Fap2: A partial packing diagram of (I), showing the formation of R33(17) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, y + 1, z; (ii) 1 - x, 2 - y, 1/2 - z]. H atoms not involved in hydrogen bondings have been omitted for clarity.


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

Odabaşoğlu M, Büyükgüngör O - Acta Crystallogr Sect E Struct Rep Online (2008)

A partial packing diagram of (I), showing the formation of R33(17) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, y + 1, z; (ii) 1 - x, 2 - y, 1/2 - z]. H atoms not involved in hydrogen bondings have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961237&req=5

Fap2: A partial packing diagram of (I), showing the formation of R33(17) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, y + 1, z; (ii) 1 - x, 2 - y, 1/2 - z]. H atoms not involved in hydrogen bondings have been omitted for clarity.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.