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N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide.

ABSTRACT: In the title compound, C(24)H(26)FN(3)O(4), the two aromatic rings form a dihedral angle of 88.81?(15)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.041?(2)?Å. The crystal structure displays inter-molecular C-H?O and N-H?O hydrogen bonds.

SUBMITTER: Vinduvahini M

PROVIDER: S-EPMC3120289 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-methyl-benzamide.

Vinduvahini M M Saha Binoy Krishna BK Mahalakhmi Revanasiddappa H D HD Devarajegowda H C HC

Acta crystallographica. Section E, Structure reports online 20110520 Pt 6

In the title compound, C(24)H(26)FN(3)O(4), the two aromatic rings form a dihedral angle of 88.81 (15)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.041 (2) Å. The crystal structure displays inter-molecular C-H⋯O and N-H⋯O hydrogen bonds. ...[more]

PMID: 21754818

Similar Datasets

N-{3-[2-(4-Fluoro-phen-oxy)eth-yl]-2,4-dioxo-1,3-diaza-spiro-[4.5]decan-7-yl}-4-meth-oxy-benzene-sulfonamide.

Project description:In the title compound, C(23)H(26)FN(3)O(6)S, the two terminal aromatic rings form a dihedral angle of 49.26?(12)°. The cyclo-hexane ring adopts a chair conformation and the five-membered ring is essentially planar, with a maximum deviation from planarity of 0.0456?(19)?Å. The dihedral angles between the five-membered ring and the meth-oxy-benzene and fluoro-benzene rings are 33.56?(11) and 81.94?(12)°, respectively. The crystal structure displays N-H?O hydrogen bonds as well as weak inter-molecular C-H?O inter-actions.

| S-EPMC3254531 | 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-(4-Bromo-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:The crystal structure of the title compound, C(15)H(17)BrN(2)O(4)S, is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-bromo-phenyl group with the mean plane passing through the hydantoin unit is 83.29?(5)°. The cyclo-hexyl group adopts an ideal chair conformation with the methyl group in an equatorial position.

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6-Benzyl-3-(1,4-dioxaspiro-[4.5]decan-2-yl)-8,8-dimethyl-1-oxa-2,6-diaza-spiro-[4.4]non-2-ene-7,9-dione.

Project description:In the title compound, C(23)H(28)N(2)O(5), the 4,5-dihydro-isoxazole ring adopts a slight envelope conformation and the dioxolane ring is in a twisted conformation. The mol-ecular structure, in the vicinity of the benzyl group, may be influenced by an intra-molecular C-H?O hydrogen bond which generates an S(7) ring motif. In the crystal structure, mol-ecules are linked via weak inter-molecular C-H?O hydrogen bonds, forming extended chains along the b axis. Further stabilization is provided by weak C-H?? inter-actions.

| S-EPMC2971287 | biostudies-literature

4-(Pyrimidin-2-yl)-1-thia-4-aza-spiro-[4.5]decan-3-one.

Project description:The title compound, C(12)H(15)N(3)OS, features an envelope conformation for the 1,3-thia-zolidin-4-one ring with the S atom as the flap atom. The pyrimidine ring is almost orthogonal to the 1,3-thia-zolidin-4-one ring as indicated by the N-C-C-N torsion angle of -111.96?(18)°. Supra-molecular dimers are formed in the crystal structure through the agency of C-H?O contacts occurring between centrosymmetrically related mol-ecules. These are linked into supra-molecular tapes along [100] via C-H?S contacts.

| S-EPMC2971766 | biostudies-literature

3-(4-Chloro-phenyl-sulfon-yl)-8-methyl-1,3-diaza-spiro-[4.5]decane-2,4-dione.

Project description:In the title compound, C(15)H(17)ClN(2)O(4)S, the atoms in the hydantoin ring are coplanar (r.m.s. deviation = 0.006?Å). The crystal structure is stabilized by inter-molecular N-H?O hydrogen bonds which link the mol-ecules into centrosymmetric dimers. The dihedral angle subtended by the 4-chloro-phenyl group with the plane passing through the hydantoin unit is 82.98?(4)°. The cyclo-hexyl ring adopts an ideal chair conformation.

| S-EPMC2977302 | biostudies-other

N-[Eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]-3-fluoro-benzamide.

Project description:In the title compound, C12H15FN2O2S, the mol-ecule adopts a cis configuration of the fluoro-benzoyl group with respect to the thiono group about their C-N bond. The dihedral angle between the fluoro-benzoyl group and the thio-urea N2CS fragment is 69.60?(11)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, mol-ecules form chains along the b-axis direction via O-H?S and C-H?O hydrogen bonds.

| S-EPMC4011211 | biostudies-literature

(1R,4R,5R)-1,3,4-Triphenyl-7-[(R)-1-phenyl-ethyl]-2-oxa-3,7-diaza-spiro-[4.5]decan-10-one.

Project description:In the title compound, C(33)H(32)N(2)O(2), the polysubstituted piperidine ring adopts a chair conformation. The isoxazolidine ring is in an envelope conformation. In the crystal structure, intra- and inter-molecular C-H?? inter-actions involving the phenyl rings are observed.

| S-EPMC2915384 | biostudies-literature

2,4-Di-chloro-N-[eth-yl(2-hy-droxy-eth-yl)carbamo-thio-yl]benzamide.

Project description:In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41?(8)°. An intra-molecular N-H?O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H?S and O-H?O hydrogen bonds link the molecules, forming chains along the b-axis direction.

| S-EPMC3914078 | biostudies-literature

(3R*,4R*,5S*)-4-(4-Methyl-phen-yl)-2,3-diphenyl-7-[(R*)-1-phenyl-ethyl]-1-oxa-2,7-diaza-spiro-[4.5]decan-10-one oxime.

Project description:In the title compound, C(34)H(35)N(3)O(2), the polysubstituted piperidine ring adopts a chair conformation and the isoxazolidine ring is in an envelope form. The mol-ecules are linked into a chain along the b axis by O-H?N, C-H?O and C-H?N inter-actions. The chains are cross-linked via weak C-H?? inter-actions.

| S-EPMC2960745 | biostudies-literature

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