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2'-Carb-oxy-meth-oxy-4,4'-bis-(3-methyl-but-2-en-yloxy)chalcone.

ABSTRACT: In the title compound, C(27)H(30)O(6), also known as sofalcone, an anti-ulcer agent used for the protection of gastric mucosa-, the two benzene rings form a dihedral angle of 6.78 (11)°. Inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked by weak C-H⋯O inter-actions into ribbons propagated in [2[Formula: see text]0]. Finally, π-π inter-actions between the benzene rings [centroid-centroid distance = 3.583 (13) Å] stabilize the crystal packing.

SUBMITTER: Liang YS

PROVIDER: S-EPMC3099935 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structures and Hirshfeld surface analyses of 4,4'-{[1,3-phenyl-enebis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzaldehyde) and 4,4'-{[(1,4-phenyl-ene-bis(methyl-ene)]bis-(-oxy)}bis-(3-meth-oxy-benzalde-hyde).

Project description:The title compounds, C24H22O6 (I) and C24H22O6 (II), each crystallize with half a mol-ecule in the asymmetric unit. The whole mol-ecule of compound (I) is generated by twofold rotation symmetry, the twofold axis bis-ecting the central benzene ring. The whole mol-ecule of compound (II) is generated by inversion symmetry, the central benzene ring being located on an inversion center. In (I), the outer benzene rings are inclined to each other by 59.96 (10)° and by 36.74 (9)° to the central benzene ring. The corresponding dihedral angles in (II) are 0.0 and 89.87 (12)°. In the crystal of (I), mol-ecules are linked by C-H⋯O hydrogen bonds and C-H⋯π inter-actions, forming ribbons propagating along the [10] direction. In the crystal of (II), mol-ecules are linked by C-H⋯O hydrogen bonds, forming a supra-molecular framework. The Hirshfeld surface analyses indicate that for both compounds the H⋯H contacts are the most significant, followed by O⋯H/H⋯O and C⋯H/H⋯C contacts.

| S-EPMC6658956 | biostudies-literature

6-(Hex-5-en-yloxy)naphthalene-2-carb-oxy-lic acid.

Project description:The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0?(2), 1.05?(19)° and 1.5?(2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664?(6):0.336?(6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H?O hydrogen bonds. Adjacent dimers are further inter-connected by C-H?O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H?? inter-actions.

| S-EPMC4051067 | biostudies-literature

4,4'-[(5-Carb-oxy-1,3-phenyl-ene)bis-(-oxy)]dibenzoic acid.

Project description:In the title compound, C(21)H(14)O(8), the central benzene ring makes dihedral angles of 77.8?(6) and 75.9?(5)° with the outer benzene rings. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds involving carboxyl groups, forming one-dimensional ladders. Two-dimensional layers are formed by inter-penetration of these one-dimensional ladders.

| S-EPMC3344173 | biostudies-literature

5-Carb-oxy-1,3-bis-(carb-oxy-meth-yl)-4-imidazolinium-4-carboxyl-ate.

Project description:The title compound, C(9)H(8)N(2)O(8), was obtained by the reaction of imidazole-4,5-dicarb-oxy-lic acid and 2-chloro-acetic acid. An intra-molecular O-H?O hydrogen bond occurs. The crystal packing is stabilized by intermolecular O-H?O and C-H?O hydrogen bonds, which link mol-ecules into a three-dimensional network.

| S-EPMC3254562 | biostudies-literature

4,4'-Bipyridine-2-(carb-oxy-methyl-sulfan-yl)pyridine-3-carb-oxy-lic acid (1/1).

Project description:In the title co-crystal, C(10)H(8)N(2)·C(8)H(7)NO(4)S, the formate group is coplanar with the pyridyl ring of the acid [dihedral angle = 6.2?(7)°], while the carb-oxy-methyl-sulfanyl group makes a C-S-C-C torsion angle of 70.2?(1)° with the pyridine ring. The dihedral angle between the pyridyl rings of the 4,4'-bipyridine mol-ecule is 27.4?(1)°. The acid and the 4,4'-bipyridine mol-ecules are involved in hydrogen bonding via carb-oxy-lic O and pyridyl N atoms. The structure is further consolidated by inter-molecular C-H?O hydrogen bonds, generating a three-dimensional network.

| S-EPMC3011421 | biostudies-literature

2-{(E)-4-[4-(Trifluoro-meth-yl)phen-oxy]but-2-en-yloxy}phenyl N-methyl-carbamate.

Project description:In the title compound, C19H18F3NO4, which was designed and synthesized as a dual-site inhibitor of insect AChE (acetyl-cholinesterase), the dihedral angle between the methyl-carbamate group and the benzene ring is 72.47?(6)°. In the crystal, inversion dimers are linked by pairs of N-H?O hydrogen bonds.

| S-EPMC3588498 | biostudies-literature

Methyl 4-(benz-yloxy)-3-meth-oxy-benzo-ate.

Project description:In the title compound, C16H16O4, the aromatic rings are almost normal to one another, making a dihedral angle of 85.81?(10)°. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains propagating along the b-axis direction. There are also C-H?? inter-actions present which link the chains, forming two-dimensional networks lying parallel to (102).

| S-EPMC3790423 | biostudies-literature

1-Benz-yloxy-2,5-bis-(chloro-meth-yl)-4-meth-oxy-benzene.

Project description:In the title compound, C(16)H(16)Cl(2)O(2), the dihedral angle between the two rings is 52.65?(10)°. The two Cl atoms are trans to one another being displaced by 1.644?(5) and -1.664?(4)?Å from the plane of the benzene ring. Except for the two Cl atoms and the C atoms of the ring of the benz-yloxy group, all the other atoms of the compound lie in the same plane [maximum deviation = 0.056?(3)?Å]. In the crystal, no significant intermolecular interactions are observed.

| S-EPMC3414275 | biostudies-literature

4,4'-Methyl-enedianilinium bis-(3-carb-oxy-4-hydroxy-benzene-sulfonate) monohydrate.

Project description:Co-crystallization of 4,4'-methyl-enediphenyl-amine (MDA) and 5-sulfosalicylic acid (5-H(2)SSA) yields the title salt, C(13)H(16)N(2) (2+)·2C(7)H(5)O(6)S(-)·H(2)O. The asymmetric unit is comprised of one dication, two anions and one water mol-ecule. In the crystal structure, the components of the salt are linked by a combination of inter-molecular O-H?O, N-H?O and weak C-H?O hydrogen bonds into a three-dimensional framework. In addition, two weak ?-? inter-actions [with centroid-centroid distances of 3.8734?(15) and 3.7465?(15)?Å] and one C-H?? inter-action further stabilize the crystal structure.

| S-EPMC2959445 | biostudies-other

Bis{?-2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}bis-({2-meth-oxy-6-[(methyl-imino)-meth-yl]phenolato}copper(II)).

Project description:The title compound, [Cu2(C9H10NO2)4], is built of discrete centrosymmetric dimers. The Cu(II) atoms are each five coordinated by two deprotonated Schiff base ligands that are bonded differently to the metal atoms. Of the two phenolate O atoms, one is coordinated to one Cu(II) atom, whereas another bridges the two metal atoms. The basal plane of the square pyramid around Cu(II) atoms is formed by the imino N and phenolate O atoms of the bidentate and the monodentate/bidentate Schiff base ligands. The bridging phenolate oxygen occupies the apical position of the coordination sphere with a considerably longer Cu-O bond length. In the crystal, the dimeric mol-ecules pack relative to each other in such a way that the Cu2O2 planes of adjacent dimers are orthogonal.

| S-EPMC3790358 | biostudies-literature

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