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

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.

SUBMITTER: Odabasoglu M

PROVIDER: S-EPMC2960995 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-[(3-Oxo-1,3-dihydro-isobenzofuran-1-yl)amino]benzoic acid.

Project description:In the title compound, C(15)H(11)NO(4), the dihedral angle formed by the benzene ring and isobenzofuran ring system is 67.82?(5)?Å. The crystal structure is stabilized by inter-molecular O-H?O and N-H?O hydrogen-bonding inter-actions.

| S-EPMC2970331 | biostudies-other

4-[(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-benzoic acid.

Project description:In the title compound, C(15)H(11)NO(4), the dihedral angle formed by the benzene ring and the essentially planar 2-benzofuran ring system is 55.93?(3)°. In the crystal, inter-molecular O-H?O hydrogen bonds link pairs of mol-ecules, generating centrosymmetric R(2) (2)(8) ring motifs. These dimeric units are connected via N-H?O hydrogen bonds, forming C(6) chains along [100].

| S-EPMC3011496 | biostudies-literature

2-(3-Oxo-1,3-dihydro-isobenzofuran-1-yl)-phthalazin-1(2H)-one.

Project description:The reaction of 2-carboxy-benzaldehyde and hydrazine hydrate unexpectedly yielded the title compound, C(16)H(10)N(2)O(3), which comprises one phthalide ring, one phthalazine system and a chiral centre. The phthalide unit is almost perpendicular to the phthalazine system, forming a dihedral angle of 87.1?(3)°. The packing is governed by weak C-H?O hydrogen-bonding inter-actions, forming layers parallel to the ab plane.

| S-EPMC2977671 | biostudies-literature

Hydro-nium (3-oxo-1-phosphono-1,3-dihydro-isobenzofuran-1-yl)phospho-nate.

Project description:In the title compound, H(3)O(+)·C(8)H(7)O(8)P(2) (-), the anions form inversion dimmers by way of pairs of O-H?O hydrogen bonds involving the phospho-nic functions and via the hydro-nium cation. Further O-H?O links involving the hydronium cation play a prominant part in the cohesion of the crystal structure by building bridges between bis-phospho-nate pairs, forming infinite ribbons along the b-axis direction and by cross-linking these ribbons perpendicularly along the a-axis direction, forming an infinite three-dimensional hydrogen-bond network. The benzene ring and the C=O atoms of the furan ring are disordered over two sets of positions of equal occupancy.

| S-EPMC2968306 | biostudies-literature

2-[1-(3-Oxo-1,3-dihydro-2-benzofuran-1-yl)-1H-benzimidazol-2-yl]benzoic acid methanol solvate.

Project description:The condensation of 2-carb-oxy-benzaldehyde with 1,2-phenyl-enediamine unexpectedly yielded the title compound, C(22)H(14)N(2)O(4)·CH(4)O. The benzimidazole ring system is almost perpendicular to the phthalazine ring system, making a dihedral angle of 88.4?(5)°. Inter-molecular O-H?N and O-H?O hydrogen-bonding inter-actions stabilize the crystal structure.

| S-EPMC3007451 | biostudies-literature

4-Oxo-1,4-dihydro-benzo[h][1,3]thia-zeto[3,2-a]quinoline-1,3-dicarb-oxy-lic acid.

Project description:In the title mol-ecule, C(16)H(9)NO(5)S, there is an intra-molecular O-H⋯O hydrogen bond involving the quinolone carbonyl O atom and a carboxyl OH group. In the crystal, inter-molecular O-H⋯O hydrogen bonds between the carbonyl group of the quinolone carboxyl group, and a second carboxyl group on the thia-zeto moiety lead to the formation of chains propagating along [201] and perpendicular to the π-stacks of mol-ecules.

| S-EPMC3051750 | biostudies-literature

4-[(5R*,10bR*)-2-Methyl-1,10b-dihydro-pyrazolo[1,5-c][1,3]benzoxazin-5-yl]benzoic acid.

Project description:In the title compound, C(18)H(16)N(2)O(3), a potential inhibitor of the cyclo-oxygenase-2 isoenzyme, the pyrazoline ring exists in a flattened envelope conformation with one C atom deviating by 0.463?Å from the mean plane of the remaining four atoms. The puckering of the central oxazine ring is more severe, with one N atom and one C atom displaced by 0.235?(6) and 0.370?(2)?Å, respectively, on opposite sides of the mean plane defined by the other four atoms; the conformation is that of a half-chair. As a result, the mol-ecule as a whole is not planar. The carboxyl group is involved in an inter-molecular O-H?N hydrogen bond, which links the mol-ecules into centrosymmetric dimers.

| S-EPMC2960786 | biostudies-literature

Synthesis of 1,2-dihydro-2-oxo-4-quinolinyl phosphates from 2-acyl-benzoic acids.

Project description:We report a facile synthesis of 1,2-dihydro-2-oxo-4-quinolinyl phosphates (1a-l) starting from 2-acyl-benzoic acids (2a-l) in the presence of phosphoryl azides via a one-pot cascade reaction involving a Curtius rearrangement, an intramolecular nucleophilic addition of the enol carbon to the isocyanate intermediate, and an addition-elimination of the enol oxygen to the phosphoryl azide. During the reaction three new bonds are formed under mild conditions to yield 1,2-dihydro-2-oxo-4-quinolinyl phosphates in modest yields.

| S-EPMC4415384 | biostudies-literature

N-[3-(5-Oxo-10,11-dihydro-5H-dibenzo[a,d]cyclo-hepten-2-ylamino)phen-yl]furan-3-carboxamide.

Project description:In the title compound, C(26)H(20)N(2)O(3), the two aromatic rings of the tricyclic unit are oriented at a dihedral angle of 54.53?(9)°. The crystal structure displays inter-molecular N-H?O hydrogen bonding.

| S-EPMC2979018 | biostudies-literature

1-(2-Oxo-3,4-dihydro-2H-1,3-benzoxazin-4-yl)urea monohydrate.

Project description:The organic molecule in the title hydrate, C(9)H(9)N(3)O(3)·H(2)O, was obtained by the condenstation of salicylic aldehyde with urea in acetonitrile. The oxazine ring adopts a slightly distorted sofa conformation, with the N atom deviating from the plane passing through the other atoms of the ring by 0.267 (2) Å. The crystal structure displays inter-molecular N-H⋯O and O-H⋯O hydrogen bonding.

| S-EPMC3007927 | biostudies-literature

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