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2-(2-Fluoro-4-hy-droxy-benz-yl)isoindoline-1,3-dione.

ABSTRACT: In the title compound, C(15)H(10)FNO(3), the dihedral angle between the isoindoline-1,3-dione and 3-fluoro-4-methyl-phenol groups is 86.88 (8)°. The isoindoline-1,3-dione fragment is almost planar, with an r.m.s. deviation of 0.0154 Å within the group. Inter-molecular C-H⋯O hydrogen bonds generate C(6) chains running parallel to the [010] direction.

SUBMITTER: Vesek H

PROVIDER: S-EPMC3414933 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-[(E)-(2-Hy-droxy-naphthalen-1-yl)methyl-idene-amino]-isoindoline-1,3-dione.

Project description:The title compound, C(19)H(12)N(2)O(3), has two independent mol-ecules (A and B) in the asymmetric unit. There is an intra-molecular O-H⋯N hydrogen bond in each mol-ecule. The mean planes of the naphthalene [maximum deviations = 0.024 (3) and 0.030 (3) Å in A and B, respectively] and the isoindoline units [maximum deviations 0.009 (3) and 0.008 (3) Å in A and B, respectively] are almostly coplanar, with dihedral angles of 4.25 (9) ad 3.84 (9)° in mol-ecules A and B, respectively. The two independent mol-ecules are connected by π-π inter-actions [centroid-centroid distances 3.5527 (19) and 3.5627 (19) Å]. In the crystal, the A+B pairs are further connected via π-π inter-actions [centroid-centroid distances = 3.693 (2)-3.831 (2) Å], leading to the formation of columns propagating along the a-axis direction. The columns are linked via C-H⋯O inter-actions, leading to the formation of a three-dimensional network.

| S-EPMC3238836 | biostudies-literature

5-(4-Hy-droxy-3-meth-oxy-benz-yl)-1,3-thia-zolidine-2,4-dione monohydrate.

Project description:In the title compound, C(11)H(11)NO(4)S·H(2)O, the five-membered thia-zolidine ring is nearly planar, with a maximum deviation of 0.010?(2)?Å. The dihedral angle between the thia-zolidine and benzene rings is 49.16?(9)°. Inter-molecular O-H?O and N-H?O hydrogen bonding is present in the crystal structure.

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4,5,6,7-Tetra-chloro-2-(4-fluoro-phen-yl)isoindoline-1,3-dione.

Project description:The title compound, C(14)H(4)Cl(4)FNO(2), has crystallographic twofold symmetry with the N and F atoms and two C atoms of the benzene ring located on a twofold rotation axis. The isoindole-dione ring system is almost planar [maximum atomic deviation = 0.036 (3) Å], and is twisted with respect to the florobenzene ring, making a dihedral angle of 58.56 (16)°. Weak inter-molecular C-H⋯Cl hydrogen bonding is present in the crystal structure.

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Crystal structures of 2-[3,5-bis-(bromo-meth-yl)-2,4,6-tri-ethyl-benz-yl]isoindoline-1,3-dione and 2-{5-(bromo-meth-yl)-3-[(1,3-dioxoisoindolin-2-yl)meth-yl]-2,4,6-tri-ethyl-benz-yl}isoindoline-1,3-dione.

Project description:The title compounds, C23H25Br2NO2 (1) and C31H29BrN2O4 (2), crystallize in the space group P21/n with two (1-A and 1-B) and one mol-ecules, respectively, in the asymmetric unit of the cell. The mol-ecular conformation of these compounds is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯N or C-H⋯π inter-actions. The crystal structure of 1 features a relatively strong Br⋯O=C halogen bond, which is not observed in the case of 2. Both crystal structures are characterized by the presence of C-H⋯Br hydrogen bonds and numerous inter-molecular C-H⋯O hydrogen-bonding inter-actions.

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2-[4-tert-Butyl-5-(2-chloro-benz-yl)-1,3-thia-zol-2-yl]isoindoline-1,3-dione.

Project description:In the title compound, C(22)H(19)ClN(2)O(2)S, the dihedral angle between the phenyl-ene ring and the phthalimide ring system is 4.4?(1)°. There is no hydrogen bonding or ?-? stacking in the crystal structure.

| S-EPMC3009081 | biostudies-literature

2,2'-[(1S,2S)-1,2-Bis(2-hy-droxy-phen-yl)ethane-1,2-di-yl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate.

Project description:In the title compound, C30H20N2O6·C2H6O·0.5H2O, the solvent water mol-ecule lies on a twofold rotation axis. The dihedral angle between the essentially planar isoindole ring systems [maximum deviations = 0.028?(1) and 0.022?(1)?Å] is 47.12?(5)°. The dihedral angle between the benzene rings is 81.32?(7)°. In the crystal, the components are linked into a three-dimensional network via O-H?O hydrogen bonds.

| S-EPMC3588493 | biostudies-literature

2-{(1R,2R)-2-[Bis(4-methyl-benz-yl)amino]-cyclo-hex-yl}isoindoline-1,3-dione.

Project description:In the title mol-ecule, C(30)H(32)N(2)O(2), the two tolyl rings form dihedral angles of 65.8 (1) and 6.6 (1)° with the isoindole-1,3-dione mean plane. The cyclo-hexane ring adopts a chair conformation.

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4-[(Hy-droxy)(4-methyl-phen-yl)methyl-idene]isochroman-1,3-dione.

Project description:In the title compound, C(17)H(12)O(4), the six-membered heterocyclic ring adopts a distorted screw-boat conformation. The mol-ecular structure exhibits an S(6) ring motif, owing to an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O contacts generate an infinite chain along the c axis. There are also π-π stacking inter-actions between neighbouring isochromanedione benzene rings, with a centroid-centroid distance of 3.755 (1) Å, and C-O⋯π inter-actions with an O⋯centroid distance of 3.964 (2) Å.

| S-EPMC3254283 | biostudies-literature

4-[(4-Chloro-phen-yl)(hy-droxy)methyl-idene]isochromane-1,3-dione.

Project description:In the title compound, C(16)H(9)ClO(4), the six-membered heterocyclic ring adopts a screw-boat conformation. The benzene rings are oriented to each other at a dihedral angle of 59.26 (9)°. The mol-ecular structure exhibits a ring motif, viz. S(6), owing to an intra-molecular O-H⋯O hydrogen bond. The presence of C-H⋯O contacts generates an infinite chain along [001]. Also present are π-π stacking inter-actions between neighbouring isochromanedione benzene rings [centroid-centroid distance = 3.746 (1) Å], and C-O⋯π inter-actions [O⋯centroid = 3.934 (2) Å].

| S-EPMC3238994 | biostudies-literature

2-(3-Bromo-prop-yl)isoindoline-1,3-dione.

Project description:In the title compound, C(11)H(10)BrNO(2), the dihedral angle between the five- and six-membered rings of the phthalamide system is 1.00?(16)°. There are no significant inter-molecular inter-ations except for van der Waals contacts.

| S-EPMC2971232 | biostudies-literature

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