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2-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)benzoic acid.

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

Bottom Line: In the mol-ecule of the title compound, C(15)H(11)NO(4), the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring.An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation.In the crystal structure, inter-molecular C-H⋯O, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(8) and R(2) (2)(11) ring motifs and forming a three-dimensional network.

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ABSTRACT
In the mol-ecule of the title compound, C(15)H(11)NO(4), the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring. An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation. In the crystal structure, inter-molecular C-H⋯O, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(8) and R(2) (2)(11) ring motifs and forming a three-dimensional network.

No MeSH data available.


A partial packing diagram of (I), showing the formation of R22(8) and R22(11) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, 1/2 - y, z - 1/2; (ii) 1 - x, -y, 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 R22(8) and R22(11) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, 1/2 - y, z - 1/2; (ii) 1 - x, -y, 2 - z]. H atoms not involved in hydrogen bondings have been omitted for clarity.


2-(3-Oxo-1,3-dihydro-isobenzofuran-1-ylamino)benzoic acid.

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

A partial packing diagram of (I), showing the formation of R22(8) and R22(11) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, 1/2 - y, z - 1/2; (ii) 1 - x, -y, 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=PMC2960995&req=5

Fap2: A partial packing diagram of (I), showing the formation of R22(8) and R22(11) ring motifs. Hydrogen bonds are shown as dashed lines [symmetry codes: (i) x, 1/2 - y, z - 1/2; (ii) 1 - x, -y, 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(15)H(11)NO(4), the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring.An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation.In the crystal structure, inter-molecular C-H⋯O, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(8) and R(2) (2)(11) ring motifs and forming a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the mol-ecule of the title compound, C(15)H(11)NO(4), the essentially planar phthalide group is oriented at a dihedral angle of 56.78 (5)° with respect to the substituted aromatic ring. An intra-molecular N-H⋯O hydrogen bond results in the formation of a non-planar six-membered ring, which adopts a nearly flattened-boat conformation. In the crystal structure, inter-molecular C-H⋯O, O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules, generating centrosymmetric R(2) (2)(8) and R(2) (2)(11) ring motifs and forming a three-dimensional network.

No MeSH data available.