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Crystal structure of 3,4-di-meth-oxy-phenol.

ABSTRACT: The title compound, C8H10O3, has two planar mol-ecules in the asymmetric unit possessing mean deviations from planarity of 0.051 and 0.071 Å. In the crystal, there are two distinct infinite chains, both along [010]. The chains are formed by O-H⋯O inter-actions between the phenol and both the 3-meth-oxy and the 4-meth-oxy groups.

SUBMITTER: Mills-Robles HA

PROVIDER: S-EPMC4719955 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of (E)-N-(3,4-di-meth-oxy-benzyl-idene)morpholin-4-amine.

Project description:In the title compound, C13H18N2O3, the benzene ring makes a dihedral angle of 17.19?(11)° with the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation. In the crystal, C-H?N hydrogen bonds link the mol-ecules into supramolecular chains running along a 21 screw axis parallel to the b-axis direction. Weak C-H?? inter-actions are also observed.

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2-Meth-oxy-3,4-diphenyl-phenol.

Project description:The title compound, C(19)H(16)O(2), was isolated as the major product after the solid-state photochemical reaction of 2-meth-oxy-4,4-diphenyl-cyclo-hexa-2,5-dienone. The dihedral angles between the central ring and pendant benzene rings are 60.76?(6) and 51.64?(6)°. The O-C vector of the meth-oxy group is almost perpendicular to the plane of the central ring as indicated by the C-C-O-C torsion angle of 94.89?(18)°. Hydrogen-bonded dimers are formed in the crystal structure via O-H?O inter-actions. The data were collected at room temperature on a Bruker SMART X2S diffractometer in the automated mode and processed manually thereafter.

| S-EPMC2980045 | biostudies-literature

Crystal structure of 4-chloro-2-{(E)-[(3,4-di-methyl-phen-yl)imino]-meth-yl}phenol.

Project description:In the title compound, C15H14ClNO, which is isostructural with its bromo analogue [Tahir et al. (2012 ▶). Acta Cryst., E68, o2730], the dihedral angle between the planes of the aromatic rings is 2.71 (7)° and an intra-molecular O-H⋯N hydrogen bond closes an S(6) ring. In the crystal, extremely weak C-H⋯π inter-actions link the mol-ecules into a three-dimensional network.

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Crystal structure of (E)-4,4'-(but-2-ene-1,4-di-yl)bis-(2-meth-oxy-phenol).

Project description:The title compound, C18H20O4, was synthesized via the ruthenium-catalyzed alkene methathesis dimerization of eugenol. The whole mol-ecule is generated by inversion symmetry; the center of inversion being located at the mid-point of the trans C=C bond. The phenol ring is inclined to the mean plane of the central C-C=C-C unit (r.m.s. deviation = 0.014 Å) by 68.83 (16)°. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds, involving the hy-droxy and meth-oxy groups, forming undulating sheets parallel to (010).

| S-EPMC4518983 | biostudies-literature

Crystal structure of 2-chloro-3-(di-meth-oxy-meth-yl)-6-meth-oxy-quinoline.

Project description:The title compound, C13H14ClNO3, crystallizes with Z' = 2 in the space group Pca21, but a search for possible additional crystallographic symmetry found none. However, the crystal structure exhibits pseudosymmetry as the two independent mol-ecules are related by an approximate but non-crystallographic inversion located close to (0.38, 0.26, 1/2) in the selected asymmetric unit, and the structure exhibits partial inversion twinning. The approximate inversion relationship between the two mol-ecules in the selected asymmetric unit is clearly shown by comparison of the relevant torsion angle in the two mol-ecules; the corresponding torsion angles have similar, although not identical magnitudes but with opposite signs. The mean planes of the quinoline rings in the two independent mol-ecules are almost parallel, with a dihedral angle of only 0.16?(3)° between them, and the mutual orientation of these rings permits significant ?-? stacking inter-actions between them [centroid-centroid distances = 3.7579?(15) and 3.7923?(15)?Å]. In addition, the bimolecular aggregates which are related by translation along [010] are linked by a further ?-? stacking inter-action [centroid-centroid distance = 3.7898?(15)?Å], so forming a ?-stacked chain running parallel to [010]. However, there are no C-H?N hydrogen bonds in the structure nor, despite the number of independent aromatic rings, are there any C-H?? hydrogen bonds; hence there are no direction-specific inter-actions between adjacent ?-stacked chains.

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Crystal structure of benzyl (E)-2-(3,4-di-meth-oxy-benzyl-idene)hydrazine-1-carbodi-thio-ate.

Project description:The title compound, C17H18N2O2S2, synthesized via a condensation reaction between S-benzyl di-thio-carbazate and 3,4-di-meth-oxy-benzaldehyde, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. Both mol-ecules have an L-shape but differ in the orientation of the benzyl ring with respect to the 3,4-di-meth-oxy-benzyl-idine ring, this dihedral angle is 65.59?(8)° in mol-ecule A and 73.10?(8)° in mol-ecule B. In the crystal, the A and B mol-ecules are linked via pairs of N-H?S hydrogen bonds, forming dimers with an R 2 (2)(8) ring motif. The dimers are linked via pairs of C-H?O hydrogen bonds, giving inversion dimers of dimers. These units are linked by C-H?? inter-actions, forming ribbons propagating in the [100] direction.

| S-EPMC4384544 | biostudies-literature

Crystal structure of 2-(3,4-di-meth-oxy-phen-yl)-3-hy-droxy-4H-chromen-4-one.

Project description:In the title compound, C17H14O5, the dimeth-oxy-substituted benzene ring is twisted relative to the 4H-chromenon skeleton (r.m.s. deviation = 0.015 Å) by 5.2 (4)°. The C atoms of the meth-oxy groups lie close to the plane of their attached benzene ring [deviations = 0.036 (3) and 0.290 (3)Å for the meta and para substituents, respectively]. An intra-molecular O-H⋯O hydrogen bond closes an S(5) ring. In the cystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(10) loops and C-H⋯O inter-actions connect the dimers into [010] chains.

| S-EPMC4186158 | biostudies-literature

Crystal structure of 5-hy-droxy-methyl-2-meth-oxy-phenol.

Project description:In the title compound, C8H10O3, the hy-droxy-methyl group is twisted by 74.51 (13)° from the plane of the benzene ring to which it is connected. By contrast, the benzene and meth-oxy groups are almost coplanar, making a dihedral angle of 4.0 (2)°. In the crystal, O-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network.

| S-EPMC4571386 | biostudies-literature

Crystal structure of 3-meth-oxy-2-[5-(naphthalen-1-yl)-4,5-di-hydro-1H-pyrazol-3-yl]phenol.

Project description:In the title compound, C20H18N2O2, the central pyrazoline ring has an envelope conformation with the atom substituted by the naphthalene ring as the flap. It bridges a benzene ring and a naphthalene ring system which are almost normal to one another, making a dihedral angle of 82.03?(6) °. There is an intra-molecular O-H?N hydrogen bond forming an S(6) ring motif. In the crystal, mol-ecules are linked by pairs of N-H?? inter-actions, forming inversion dimers. There are also C-H?? inter-actions present and the dimers are linked via C-H?O hydrogen bonds, forming ribbons propagating along the a-axis direction.

| S-EPMC4645021 | biostudies-literature

Crystal structure of 5-(5,6-di-hydro-benzo[4,5]imidazo[1,2-c]quinazolin-6-yl)-2-meth-oxy-phenol.

Project description:In the mol-ecule of the title compound, C21H17N3O2, the 5,6-di-hydro-benzimidazo[1,2-c]quinazoline moiety is disordered over two orientations about a pseudo-mirror plane, with a refined occupancy ratio of 0.863 (2):0.137 (2). The dihedral angles formed by the benzimidazole ring system and the benzene ring of the quinazoline group are 14.28 (5) and 4.7 (3)° for the major and minor disorder components, respectively. An intra-molecular O-H⋯O hydrogen bond is present. In the crystal, mol-ecules are linked by O-H⋯N hydrogen bonds, forming chains running parallel to [10-1].

| S-EPMC4719928 | biostudies-literature

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