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4,4'-[2,5-Bis(dodec-yloxy)-p-phenyl-ene]bis-(2-methyl-but-3-yn-2-ol).

ABSTRACT: In the title compound, C(40)H(66)O(4), the C and O atoms of the propinyl and dodecoxyl substituents are nearly coplanar with the benzene ring, 1.735 (6), 8.804 (1), 8.786 (1) and 9.577 (3)°, respectively. In the crystal, mol-ecules are connected by inter-molecular O-H⋯O hydrogen bonds.

SUBMITTER: Zhang XW

PROVIDER: S-EPMC3006914 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2,2'-Dimethyl-4,4'-(sulfonyldi-p-phenyl-ene)dibut-3-yn-2-ol dihydrate.

Project description:The asymmetric unit of the title compound, C(22)H(22)O(4)S·2H(2)O, contains one quarter of the organic mol-ecule and one half water mol-ecule, the site symmetries of the S atom and the water O atom being mm2 and m, respectively. The dihedral angle between the benzene rings is 76.27?(11)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into chains running parallel to the a axis.

| S-EPMC2968150 | biostudies-literature

2,2'-[2,5-Bis(hex-yloxy)-1,4-phenyl-ene]dithio-phene.

Project description:The asymmetric unit of the title compound, C(26)H(34)O(2)S(2), comprises one half-mol-ecule located on an inversion centre. The thio-phene groups are twisted relative to the benzene ring, making a dihedral angle of 5.30?(7)°, and the n-hexyl groups are in a fully extended conformation. In the crystal, there are short C-H?? contacts involving the thio-phene groups.

| S-EPMC3393253 | biostudies-literature

4,4'-Bis(prop-2-yn-yloxy)biphen-yl.

Project description:The title compound, C(18)H(14)O(2), crystallizes with one half-mol-ecule in the asymmetric unit. The mol-ecule lies on an inversion center, located at the mid-point of the central C-C bond. As a result, the benzene rings are coplanar. No classical hydrogen bonds or stacking inter-actions are observed in the crystal structure.

| S-EPMC2915354 | biostudies-literature

4,4'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(thio-methyl-ene)]dibenzonitrile.

Project description:The title mol-ecule, C(18)H(12)N(4)S(3), consists of three essentially planar fragments, viz. two methyl-substituted benzonitrile rings and a substituted thia-diazole ring. The dihedral angles between the substituted benzonitrile rings and the central thia-diazole ring are 28.29 (10) and 78.83 (6)°, and the dihedral angle between the two benzonitrile rings is 72.89 (7)°.

| S-EPMC2962212 | biostudies-literature

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

catena-Poly[[diiodidocadmium]-?-[4,4'-(2,3,5,6-tetra-methyl-1,4-phenyl-ene)bis-(methyl-ene)]bis-(3,5-dimethyl-1H-pyrazole)-?N:N].

Project description:The heterocylic ligand of the polymeric title compound, [CdI(2)(C(22)H(30)N(4))], links two adjacent CdI(2) units, forming a chain running parallel to [[Formula: see text]01]. The Cd(II) atom is located on a twofold rotation axis and shows a distorted tetra-hedral CdI(2)N(2) coordination. The mid-point of the benzene ring of the ligand lies on a center of inversion. There are no classical hydrogen-bonding inter-actions present.

| S-EPMC3212128 | biostudies-literature

N,N'-[4,4'-Methyl-enebis(4,1-phenyl-ene)]bis-(2,6-difluoro-benzamide).

Project description:The complete mol-ecule of the title compound, C(27)H(18)F(4)N(2)O(2), is generated by crystallographic twofold symmetry, with one C atom lying on the rotation axis. The dihedral angle between fluoro-substituted phenyl ring and the adjacent benzene ring is 10.37?(5)°. In the crystal, mol-ecules are connected by N-H?O and C-H?F hydrogen bonds, resulting in supra-molecular chains propagating along the c direction.

| S-EPMC3151792 | biostudies-literature

4,4'-{[1,2-Phenyl-enebis(methyl-ene)]bis-(-oxy)}di-benzoic acid di-methyl-formamide disolvate.

Project description:In the title solvate, C22H18O6·2C3H7NO, the complete dicarboxylic acid molecule is generated by a crystallographic twofold axis, which bisects the central benzene ring and one N,N-di-methyl-formamide solvent mol-ecule. The dihedral angle between the central and pendant benzene rings is 54.53?(5)° while that between the pendant rings is 45.44?(5)°. In the crystal, the acid molecules are linked to the solvent molecules via O-H?O and weak C-H?O hydrogen bonds. Further weak C-H?O inter-actions link adjacent acid mol-ecules into a three-dimensional network.

| S-EPMC4011299 | biostudies-literature

3,3'-Bis(quinolin-8-yl)-1,1'-[4,4'-methyl-enebis(4,1-phenyl-ene)]diurea.

Project description:The title compound, C(33)H(26)N(6)O(2), contains two 3-(quinolin-8-yl)urea groups linked to a diphenyl-methane. The asymmetric unit contains two mol-ecules, A and B. Each quinoline plane is essentially parallel to the attached urea unit [dihedral angles = 8.97?(18) and 8.81?(19) in molecule A and 18.47?(18) and 4.09?(19)° in molecule B]. The two benzene rings are twisted, making dihedral angles of 81.36?(8)° in A and 87.20?(9)° in B. The molecular structures are stabilized by intramolecular N-H?N hydrogen bonds. In the crystal, each urea O atom is involved in two N-H?O hydrogen bonds, generating two inter-penetrating three-dimensional sets of mol-ecules.

| S-EPMC3254500 | biostudies-literature

4,4'-({[(Pyridine-2,6-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-(methyl-ene))dibenzo-nitrile.

Project description:The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.

| S-EPMC3998298 | biostudies-literature

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