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

ABSTRACT: 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].

SUBMITTER: Abou A

PROVIDER: S-EPMC3238994 | biostudies-literature |

REPOSITORIES: biostudies-literature

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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.

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2-[Hy-droxy(4-meth-oxy-phen-yl)methyl-idene]indane-1,3-dione.

Project description:In the title compound, C(17)H(12)O(4), there is an intra-molecular O-H?O hydrogen bond. The dihedral angle between the indane ring system [maximun deviation = 0.023?(2)?Å] and the benzene ring is 37.42?(9)°.

| S-EPMC3379464 | biostudies-literature

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

(Z)-3-[(4-Eth-oxy-phen-yl)(hy-droxy)methyl-idene]-1-isopropyl-pyrrolidine-2,4-dione.

Project description:In the title compound, C(16)H(19)NO(4), a potent new herbicide, the dihedral angle between the benzene and pyrrolidine rings is 11.09?(8)°. Intra-molecular O-H?O and C-H?O hydrogen bonds are observed.

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{5-Chloro-2-[(2-hy-droxy-benzyl-idene)amino]-phen-yl}(phen-yl)methanone.

Project description:The title Schiff base compound, C(20)H(14)ClNO(2), adopts an E configuration about the azomethine bond. The phenol and chloro-benzene rings form dihedral angles of 84.71?(9) and 80.70?(8)°, respectively, with the phenyl ring and are twisted by 15.32?(8)° with respect to one another. The mol-ecular conformation is stabilized by an intra-molecular O-H?N hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming columns parallel to the a axis.

| S-EPMC3239075 | biostudies-literature

2-[2-(3-Chloro-phen-yl)hydrazinyl-idene]-1,3-diphenyl-propane-1,3-dione.

Project description:The mol-ecular structure of the title compound, C(21)H(15)ClN(2)O(2), features one strong intra-molecular N-H?O resonance-assisted hydrogen bond (RAHB). In the crystal, mol-ecules form inversion-related dimers via pairs of weak inter-molecular N-H?O contacts. These dimers are further stabilized via three weak C-H?O contacts, developing the three-dimensional structure.

| S-EPMC3120543 | biostudies-literature

4-Chloro-2-hy-droxy-N-(4-methyl-phen-yl)benzamide.

Project description:In the title compound, C(14)H(12)ClNO(2), the dihedral angle between the aromatic rings is 14.87?(11)° and an intra-molecular N-H?O hydrogen bond generates an S(6) ring. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, generating C(6) chains propagating along the c-axis direction.

| S-EPMC3275068 | biostudies-literature

Ethyl 4-hy-droxy-6-(4-hy-droxy-phen-yl)-4-trifluoro-methyl-2-sulfanyl-idene-1,3-diazinane-5-carboxyl-ate ethanol monosolvate.

Project description:The title compound, C(14)H(15)F(3)N(2)O(4)S·C(2)H(5)OH, was prepared by reaction of 4-hy-droxy-benzaldehyde, ethyl 4,4,4-trifluoro-3-oxobutano-ate and thio-urea. The hexa-hydro-pyrimidine ring adopts a half-chair conformation, the mean plane formed by the ring atoms excluding the C atom bonded to the eth-oxy-carbonyl group has an r.m.s. deviation of 0.0333?Å, and the dihedral angle between this plane and the benzene ring is 56.76?(5)°. The mol-ecular conformation is stabilized by an intra-molecular O-H?O hydrogen bond, generating an S(6) ring. The crystal structure is stabilized by inter-molecular O-H?O, O-H?S, N-H?O and N-H?S hydrogen bonds. The ethyl group of the ester unit is disordered over two positions, with an occupancy ratio of 0.757?(10):0.243?(10).

| S-EPMC3089211 | biostudies-literature

2-{[(4-{[(2-Hy-droxy-phen-yl)(phen-yl)methyl-idene]amino}-phen-yl)imino](phen-yl)meth-yl}phenol.

Project description:The title mol-ecule, C(32)H(24)N(2)O(2), has a crystallographically imposed inversion centre and exists in the crystal as an enol-imine tautomer. The mol-ecular structure is stabilized by two strong intra-molecular O-H⋯N hydrogen bonds. The dihedral angles between the central benzene ring and the mean planes of the phenyl substituents are 59.99 (1) and 62.79 (2)°. In the crystal, the mol-ecules are arranged into (010) layers via C-H⋯π inter-actions.

| S-EPMC3238908 | biostudies-literature

3-Chloro-N'-[(2-hy-droxy-naphthalen-1-yl)methyl-idene]benzohydrazide.

Project description:The title compound, C(18)H(13)ClN(2)O(2), was prepared by the reaction of 2-hy-droxy-1-naphthaldehyde with 3-chloro-benzohydrazide in methanol. An intra-molecular O-H⋯N hydrogen bond influences the mol-ecular conformation; the benzene ring and naphthyl ring system form a dihedral angle of 17.1 (3)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into chains propagated in [101].

| S-EPMC3051679 | biostudies-literature

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