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2-(10',10'-Dimethyl-3'-sulfanyl-idene-4'-aza-tri-cyclo-[5.2.1.0(1,5)]decan-2'--yl)-10,10-dimethyl-4-aza-tri-cyclo-[5.2.1.0(1,5)]decane-3-thione.

ABSTRACT: The title compound, C28H40N2O2S2, was obtained as a minor product from an anti-aldol reaction between the corresponding N-propionyl-thiol-actam and benzaldehyde. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry. The molecule displays a nearly eclipsed conformation along the central C-C bond with a C-C-C-C- torsion angle of 20.4?(3)°.

SUBMITTER: Walker A

PROVIDER: S-EPMC3793777 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-(10',10'-Dimethyl-3'-sulfanyl-idene-4'-aza-tri-cyclo-[5.2.1.0(1,5)]decan-2'--yl)-10,10-dimethyl-4-aza-tri-cyclo-[5.2.1.0(1,5)]decane-3-thione.

Walker Ashley A Forsyth Craig M CM Perlmutter Patrick P

Acta crystallographica. Section E, Structure reports online 20130720 Pt 8

The title compound, C28H40N2O2S2, was obtained as a minor product from an anti-aldol reaction between the corresponding N-propionyl-thiol-actam and benzaldehyde. The asymmetric unit contains one half-molecule, which is completed by inversion symmetry. The molecule displays a nearly eclipsed conformation along the central C-C bond with a C-C-C-C- torsion angle of 20.4 (3)°. ...[more]

PMID: 24109364

Similar Datasets

4-(3,5-Dioxo-10-oxa-4-aza-tricyclo-[5.2.1.0]decan-4-yl)-10-oxa-4-aza-tricyclo-[5.2.1.0]decane-3,5-dione.

Project description:In the title compound, C(16)H(16)N(2)O(6), the dihedral angle between the two pyrrolidine rings is 79.38?(14)°.

| S-EPMC3275059 | biostudies-literature

exo-1,7-Dimethyl-4-phenyl-10-oxa-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.

Project description:The title compound, C16H15NO3, consists of an oxabicycle fused to an N-phenyl-substituted pyrrolidine ring anti to the double bond, affording the exo isomer. In the oxabicycle system, the six-membered ring presents a boat conformation, while the heterocyclic rings show envelope conformations with the O atom projected out of the plane. In the crystal, adjacent mol-ecules are linked via weak C-H?O hydrogen bonds, forming chains propagating along the a-axis direction. The chains are linked by C-H?? inter-actions, forming two-dimensional networks lying parallel to the ac plane.

| S-EPMC3885034 | biostudies-literature

2,6-Dimethyl-4-oxo-3-oxatri-cyclo-[5.2.1.0(2,6)]decane-1-carboxamide.

Project description:In the title compound, C12H17NO3, which was synthesized by Wagner-Meerwein rearrangement of the N-nitro-imine, the ring-junction C-C bond length is comparatively long [1.573?(2)?Å] due to a steric repulsion between the methyl groups at these atoms, which also leads to an increase in the C-C-C angles along this C4 chain [118.10?(13) and 115.04?(15) °, respectively]. In the crystal, N-H?O-C and N-H?O=C hydrogen bonds are formed between the amide group and the two O-atom acceptors of the lactone group, forming a chain along [001].

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2-(3,5-Dioxo-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid.

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exo-4-[(1H-Benzimidazol-2-yl)meth-yl]-10-oxa-4-aza-tricyclo-[5.2.1.0]decane-3,5-dione.

Project description:In the title compound, C(16)H(15)N(3)O(3), the dihedral angle between the approximately planar benzimidazolyl group (r.m.s. deviation = 0.010?Å) and the pyrrolidine ring is 78.20?(6)°. The C-C-N bond angle of the bridging CH(2) group is 112.14?(16)°. In the crystal, mol-ecules are linked via N-H?N hydrogen bonds, forming infinite chains parallel to [101] and [10[Formula: see text]].

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Project description:The title compound, C(14)H(16), is built up from three five-membered rings. Two of the five-membered rings display an envelope conformation and the third one is almost planar (r.m.s. deviation = 0.014?Å).

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1,10,10-Trimethyl-5-phenyl-3-oxa-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-4-en-2-ol.

Project description:The title compound, C17H21NO2, was synthesized by the reaction of (1R)-(+)-3-benzyl-camphor and hydroxyl-amine. The oxazole ring makes a dihedral angle of 23.42?(16)° with the phenyl ring. The six-membered ring of the norboryl group adopts a boat conformation, whereas each of the five-membered rings of the norboryl group displays a flattened envelope conformation, with the C atom carrying the methyl groups representing the flap for both rings. In the crystal, mol-ecules are linked into zigzag chains propagating along the b axis by O-H?N hydrogen bonds.

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Crystal structure of 1,7,8,9-tetra-chloro-4-(2-fluoro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.

Project description:In the title compound, C17H12Cl4FNO4, the configuration of the cyclo-alkene skeleton is endo,cis. The benzene ring is twisted by 71.01?(11)° from the attached pyrrolidine ring. In the crystal, one of the methine groups of the fused-ring system forms a weak C-H?O hydrogen bond. The other methine groups participates in a C-H?F inter-action to the same adjacent mol-ecule. Together, these generate [010] chains.

| S-EPMC4331900 | biostudies-other

(2S,7S)-10-Ethyl-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.1(8,12).0(2,7)]penta-decan-10-ium iodide.

Project description:The title chiral quaternary ammonium salt, C(13)H(25)N(4) (+)·I(-), was synthesized through the Menschutkin reaction between the cage aminal (2S,7S)-1,8,10,12-tetra-aza-tetra-cyclo-[8.3.1.1(8,12).0(2,7)]penta-decane and ethyl iodide. The quaternization occurred regioselectively on the nitrogen with major sp3 character. The crystal structure consists of anions and cations separated by normal distances. Ions are not linked through C-H?I hydrogen bonds.

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Crystal structure of 1,7,8,9-tetra-chloro-4-(3,5-di-chloro-benz-yl)-10,10-dimeth-oxy-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-ene-3,5-dione.

Project description:In the title compound, C17H11Cl6NO4, the configuration of the cyclo-alkene skeleton is endo,cis. The benzene ring is twisted by 58.94?(8)° from the attached pyrrolidine ring. Two carbonyl groups play a key role in the crystal packing. A short inter-molecular C?O distance of 3.017?(3)?Å reveals that one carbonyl group is involved in dipole-dipole inter-actions, which link two adjacent enanti-omers into an inversion dimer. Another carbonyl group provides an acceptor for the weak inter-molecular C-H?O hydrogen bonds which link these dimers into layers parallel to (011).

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