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4-[(6-Chloro-2-pyrid-yl)meth-oxy]-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

ABSTRACT: In the title compound, C(21)H(18)Cl(3)NO(3), the cyclo-hexane ring is in a chair conformation. The five-membered ring forms a dihedral angle of 69.89 (2)° with the benzene ring. The dihedral angle between the benzene and pyridine rings is 14.03 (7)°.

SUBMITTER: Xu LZ

PROVIDER: S-EPMC2968965 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(2,4-Dichloro-phen-yl)-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl acetate.

Project description:In the title compound, C(17)H(16)Cl(2)O(4), the cyclo-hexyl ring displays a chair conformation [the four C atoms are planar with a mean deviation of 0.001 (2) Å and the two C atoms at the flap positions deviate by 0.625 (2) and -0.680 (2) Å from the plane]. The furan ring is planar with a mean deviation of 0.004 (2) Å and forms a dihedral angle of 46.73 (2)° with the benzene ring.

| S-EPMC2980009 | biostudies-literature

4-But-oxy-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

Project description:In the title compound, C(19)H(22)Cl(2)O(3), the cyclo-hexane ring adopts a chair conformation. The furan ring plane forms dihedral angles of 81.88?(2) and 50.19?(3)°, respectively, with the benzene ring and the plane formed by the butyl C atoms. The crystal structure is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC2968231 | biostudies-literature

4-Benz-yloxy-3-(2,4-dichloro-phen-yl)-1-oxaspiro-[4.5]dec-3-en-2-one.

Project description:In the title compound, C(22)H(20)Cl(2)O(3), the cyclo-hexyl ring adopts a chair conformation. The furanyl ring plane makes dihedral angles of 70.10 (2) and 86.12 (3)° with the 2,4-dichloro-phenyl ring and aromatic ring of the benzyl group, respectively. The crystal structure features weak inter-molecular C-H⋯O and C-H⋯Cl hydrogen bonds.

| S-EPMC2968969 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl 2-methyl-prop-2-enoate.

Project description:In the title mol-ecule, C(19)H(18)Cl(2)O(4), the cyclo-hexane ring adopts a chair conformation. The furan ring is essentially planar and forms a dihedral angle of 82.1?(1)° with the benzene ring. In the crystal, weak C-H?O interactions are present.

| S-EPMC3344633 | biostudies-literature

3-(2,4-Dichloro-phen-yl)-2-oxo-1-oxa-spiro-[4.5]dec-3-en-4-yl 4-chloro-benzoate.

Project description:In the title spiro-diclofen derivative, C(22)H(17)Cl(3)O(4), the cyclo-hexane ring adopts a chair conformation [four C atoms are planar with a mean deviation of 0.018 Å and the two C atoms at the flap positions deviate by 0.613 (4) and -0.668 (5) Å from the plane]. The dihedral angles between the furan ring and the two benzene rings are 55.78 (3) and 49.92 (3)°. Weak inter-molecular C-H⋯Cl inter-actions are observed in the crystal structure.

| S-EPMC2971930 | biostudies-literature

3-tert-Butyl-2-oxo-1-oxaspiro-[4.5]dec-3-en-4-yl 4-chloro-benzoate.

Project description:The title tetronic acid derivative, C(20)H(23)ClO(4), which is a spiro-diclofen analogue, has two crystallographically independent mol-ecules in the asymmetric unit (Z' = 2). The cyclo-hexane rings in the respective mol-ecules A and B adopt chair conformations [four C atoms are planar with mean deviations of 0.013?(2) and 0.001?(2)?Å, and the flap positions deviate by 0.653?(4) and -0.663?(3)?Å (mol-ecule A) and 0.642?(4) and -0.643?(5)?Å (mol-ecule B) from the plane]. The furan ring makes dihedral angles of 86.9?(1) (mol-ecule A) and 85.4?(1)° (mol-ecule B) with the respective benzene rings.

| S-EPMC3201220 | biostudies-literature

(E)-3-(2-Chloro-phen-yl)-1-(2,4-dichloro-phen-yl)prop-2-en-1-one.

Project description:In the title chalcone derivative, C(15)H(9)Cl(3)O, the dihedral angle between the 2-chloro-phenyl and 2,4-dichloro-phenyl rings is 41.79?(14)°. Weak C-H?O and C-H?Cl intra-molecular inter-actions involving the enone unit generate S(5) ring motifs. In the crystal structure, the mol-ecules are arranged in a head-to-tail manner along the a axis. These chains are stacked along the b axis.

| S-EPMC2961590 | 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

(E)-5-[3-Cyano-2-(dicyano-methyl-ene)-1-oxaspiro-[4.5]dec-3-en-4-yl]-3-(1-methyl-1,4-dihydro-pyridin-4-yl-idene)pent-4-en-1-yl 3,5-bis-(benz-yloxy)benzoate.

Project description:In the title compound, C45H40N4O5, the cyclo-hexane entity on the (3-cyano-2,5-dihydro-furan-2-yl-idene)propane-dinitrile group, which replaces the usual dimethyl substituents, has not perturbed the delocalization geometry significantly. Weak inter-molecular inter-actions, viz. C-H?N(cyano), C-H?O(ether), C-H?? and ?-? [between the aromatic rings with the shortest centroid-centroid distance of 3.603?(3)?Å], consolidate the crystal packing, which exhibits voids of 57?Å(3).

| S-EPMC3588224 | biostudies-literature

2-Meth-oxy-4-(prop-2-en-1-yl)phenyl 2,4-di-chloro-benzoate.

Project description:In the title compound, C17H14Cl2O3, the two benzene rings are twisted by 73.6?(2)°. The twist is similar to that found in the unsubstituted compound, viz. phenyl benzoate. In the crystal, inversion dimers are linked by pairs of C-H?O inter-actions.

| S-EPMC3770367 | biostudies-literature

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