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Rac-3,9-Bis(3-chloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

ABSTRACT: In the title compound, C(19)H(18)Cl(2)O(4), the two non-planar six-membered heterocycles passing through the spiro-C atom both adopt chair conformations, and the dihedral angle between the two benzene rings is 7.2?(1)°. In the crystal, the enanti-omers with R and S configurations are generated by the symmetry elements of the centrosymmetric space group, forming a racemic crystal. Inter-molecular C-H?? and weak C-H?O inter-actions link the mol-ecules in the crystal structure.

SUBMITTER: Li Z

PROVIDER: S-EPMC3201504 | biostudies-other | 2011 Oct

REPOSITORIES: biostudies-other

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rac-3,9-Bis(3-chloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Li Zhengyi Z Zhou Beibei B Chen Liang L Ge Ling L Sun Xiaoqiang X

Acta crystallographica. Section E, Structure reports online 20110917 Pt 10

In the title compound, C(19)H(18)Cl(2)O(4), the two non-planar six-membered heterocycles passing through the spiro-C atom both adopt chair conformations, and the dihedral angle between the two benzene rings is 7.2 (1)°. In the crystal, the enanti-omers with R and S configurations are generated by the symmetry elements of the centrosymmetric space group, forming a racemic crystal. Inter-molecular C-H⋯π and weak C-H⋯O inter-actions link the mol-ecules in the crystal structure. ...[more]

PMID: 22058783

Similar Datasets

3,9-Bis(2-chloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:The complete mol-ecule of the title compound, C(19)H(18)Cl(2)O(4), is generated by a crystallographic twofold axis that passes through the spiro C atom. The 1,3-dioxane ring adopts a chair conformation and the phenyl substituent occupies an equatorial site.

| S-EPMC2979752 | biostudies-literature

3,9-Bis(2,4-dichloro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:In the title compound, C(19)H(16)Cl(4)O(4), the two halves of the mol-ecule are related by a crystallographic twofold rotation axis passing through the central spiro-C atom. The two non-planar six-membered heterocycles both adopt chair conformations, and the dihedral angle between the two benzene rings is 76.6 (1)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains along the c axis.

| S-EPMC3007031 | biostudies-literature

Crystal structure of rac-3,9-bis-(2,6-di-fluoro-phen-yl)-2,4,8,10-tetra-oxa-spiro[5.5]undeca-ne.

Project description:The title compound, C19H16F4O4, was prepared by the condensation reaction of 2,6-di-fluoro-benzaldehyde and penta-erythritol. The whole mol-ecule is generated by twofold rotational symmetry. The two six-membered O-heterocycles adopt chair conformations through a shared spiro-carbon atom that is located on the crystallographic twofold rotation axis. In this conformation, the two aromatic rings are located at the equatorial positions of the O-heterocycles. The conformation of this doubly substituted tetra-oxa-spiro system is chiral. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming layers parallel to (100). These layers are linked by C-H?F hydrogen bonds into a three-dimensional structure.

| S-EPMC4384547 | biostudies-literature

3,9-Dimethyl-3,9-bis-(4-nitro-phen-yl)-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:In the title compound, C(21)H(22)N(2)O(8), both of the nonplanar six-membered heterocycles adopt chair conformations. The dihedral angle between the terminal benzene rings is 58.22?(11)°. Weak inter-molecular C-H?O inter-actions are observed in the crystal structure.

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3,9-Di-tert-butyl-2,4,8,10-tetra-oxaspiro-[5.5]undeca-ne.

Project description:The title compound, C(15)H(28)O(4), was prepared by the condensation of pivalaldehyde with penta-erythritol. In the crystal, the two halves of the mol-ecule are related by a crystallographic twofold rotation axis passing through the central spiro-C atom. The two non-planar six-membered heterocycles both adopt chair conformations with the two tert-butyl groups both located in the equatorial positions.

| S-EPMC3011739 | biostudies-literature

3,9-Di-1-naphthyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(27)H(24)O(4), the 1,3-dioxane rings have chair conformations. The mol-ecule has non-crystallographic twofold rotation symmetry. The dihedral angle between the naphthalene ring systems is 17.96(4)° In the crystal structure, weak inter-molecular C-H?? inter-actions contribute to the crystal packing.

| S-EPMC2979257 | biostudies-literature

3,9-Diisopropyl-2,4,8,10-tetra-thia-spiro-[5.5]undeca-ne.

Project description:The mol-ecule of the title compound, C(13)H(24)S(4), has C2 symmetry and it crystallizes as a racemate. The structure displays two six-membered rings exhibiting chair conformations, with the isopropyl substituents in equatorial positions. In the crystal structure, weak inter-molecular C-H?S inter-actions are observed, leading to a channel-like arrangement along the c axis.

| S-EPMC2983234 | biostudies-other

3,3,9,9-Tetra-phenyl-2,4,8,10-tetra-oxa-spiro-[5.5]undeca-ne.

Project description:In the title compound, C(31)H(28)O(4), the asymmetric unit contains two crystallographically independent mol-ecules. In these two mol-ecules, the four dihedral angles between each pair of phenyl rings on the same C atoms are 75.4?(1), 83.0?(1), 85.0?(1) and 80.4?(2)°. All of the nonplanar six-membered heterocycles adopt chair conformations. Inter-molecular C-H?? and weak C-H?O inter-actions link the mol-ecules and are effective in the stabilization of the crystal structure.

| S-EPMC3009283 | biostudies-literature

Bis(1,3-dimesitylimidazol-yl)gold(I) 2,4,8,10-tetra-phenyl-1,3,5,7,9,11-hexa-oxa-2,4,8,10-tetra-bora-6-borataspiro-[5.5]undeca-ne.

Project description:The Au(I) atom in the title compound, [Au(C(21)H(24)N(2))(2)](C(24)H(20)B(5)O(6)), adopts a slightly distorted linear AuC(2) coordination geometry arising from its coordination by two mesitylenic N-heterocyclic carbene ligands, forming an overall cationic complex. The dihedral angle between the imidazole rings is 57.3?(6)°. In the crystal, the components are linked by weak C-H?O hydrogen bonds.

| S-EPMC3120302 | biostudies-literature

7,11-Bis(4-methyl-phen-yl)-2,4,8,10-tetra-azaspiro-[5.5]undecane-1,3,5,9-tetra-one.

Project description:In the mol-ecule of the title compound, C(21)H(20)N(4)O(4), the two methyl-phenyl rings are oriented at a dihedral angle of 59.32 (4)°. The other two rings have flattened-boat conformations. In the crystal structure, inter-molecular N-H⋯O hydrogen bonds link the mol-ecules. There are C-H⋯π contacts between a methyl-phenyl ring and methyl and methine groups.

| S-EPMC2961972 | biostudies-literature

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