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

ABSTRACT: 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.

SUBMITTER: Zhou Y

PROVIDER: S-EPMC2971930 | 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

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-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

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

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

Project description: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)°.

| S-EPMC2968965 | biostudies-literature

3-(4-Chloro-phen-yl)-7-methyl-4-(4-methyl-phen-yl)-1-oxa-2,7-diaza-spiro-[4.5]dec-2-en-10-one.

Project description:In the title compound, C(21)H(21)ClN(2)O(2), the dihydro-isoxazole ring adopts an envelope conformation and the piperidinone ring is in a chair conformation. The dihedral angle between the two benzene rings is 84.2 (1)°. The crystal used was an inversion twin.

| S-EPMC2960192 | biostudies-literature

2-[2-(2,6-Dichloro-anilino)phen-yl]-N-[(2S)-2-methyl-3-oxo-8-phenyl-1-thia-4-aza-spiro-[4.5]dec-4-yl]acetamide.

Project description:In the title compound, C(29)H(29)Cl(2)N(3)O(2)S, the phenyl ring is disordered over two orientations with occupancies of 0.55 (3) and 0.45 (3). The mol-ecular packing in the crystal is stabilized by inter-molecular N-H⋯O inter-actions, linking the mol-ecules into infinite chains along the c axis. In addition, there are weak C-H⋯S and C-H⋯π inter-actions.

| S-EPMC2983948 | biostudies-literature

N-[3-(4-Fluoro-benz-yl)-2,4-dioxo-1,3-diaza-spiro-[4.5]dec-8-yl]-2-methyl-benzene-sulfonamide.

Project description:In the title compound, C(22)H(24)FN(3)O(4)S, the cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation of 0.040?(2)?Å. The dihedral angles between the five-membered ring and the tolyl and fluoro-benzene rings are 56.74?(12) and 89.88?(12)°, respectively. The two terminal benzene rings make a dihedral angle of 63.53?(12)°. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds. An intra-molecular C-H?O hydrogen bond also occurs.

| S-EPMC3254453 | biostudies-literature

3-(2,5-Di-methyl-phen-yl)-8-meth-oxy-2-oxo-1-aza-spiro-[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro-phen-yl)acrylate.

Project description:In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxyl-ase, the cyclo-hexane ring displays a chair comformation with the spiro-C and meth-oxy-bearing C atoms deviating by 0.681 (7) and -0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C6 ring. The mean planes of the cyclo-hexane and 2-bromo-4-fluoro-phenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers.

| S-EPMC3772492 | biostudies-literature

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