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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.

ABSTRACT: 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.

SUBMITTER: Zhong JL

PROVIDER: S-EPMC4331900 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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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.

Zhong Jia-Liang JL Hou Jia-Wei JW Liu Li-Hong LH Liu He H

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1

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. ...[more]

PMID: 25705492

Similar Datasets

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).

| S-EPMC4331899 | biostudies-other

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

1,7,8,9,10,10-Hexachloro-4-(2-phenyl-eth-yl)-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the title compound, C(17)H(11)Cl(6)NO(2), the six-membered ring of the norbornene moiety adopts a boat conformation whereas the two five-membered rings adopt envelope conformations. The phenyl ring and the ring of the succinimide moiety are almost coplanar [dihedral angle = 7.44 (14)°]. The crystal packing is stabilized by a weak inter-molecular C-H⋯O hydrogen bond.

| S-EPMC3151925 | biostudies-literature

4-(2-Amino-phen-yl)-10-oxa-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the title compound, C(14)H(12)N(2)O(3), the essentially planar pyrrole ring [maximum deviation = 0.037 (4) Å] and the benzene ring form a dihedral angle of 69.5 (2)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds connect mol-ecules into chains along [001]. Additional stabilization is provided by weak inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC3052145 | biostudies-literature

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

Project description:The asymmetric unit of the title compound, C11H11NO4, contains two mol-ecules, A and B, with different conformations: in mol-ecule A, the norborne and carb-oxy-lic acid groups lie to the same side of the heterocycle, whereas in a mol-ecule B, they lie on opposite sides. In the crystal, the A mol-ecules form R 2 (2)(8) carb-oxy-lic acid inversion dimers, linked by pairs of O-H?O hydrogen bonds. The B mol-ecules link to one of the ketone O atoms of the A mol-ecule by an O-H?O inter-action, resulting in tetra-mers (two A and two B mol-ecules). The tetra-mers are linked by weak C-H?O inter-actions, generating a three-dimensional network.

| S-EPMC3884503 | biostudies-literature

1,7,8,9,10,10-Hexachloro-4-(thio-phen-2-ylmeth-yl)-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the title compound, C(14)H(7)Cl(6)NO(2)S, the six-membered ring of the aza-tricyclo system has a boat conformation whereas the five-membered rings have an envelope conformation. The thio-phene ring and the ring of the succinimide moiety enclose a dihedral angle of 67.2?(1)°. The crystal packing is stabilized by weak inter-molecular C-H?O hydrogen bonds.

| S-EPMC3200576 | biostudies-literature

exo,exo-4-(2-Hy-droxy-eth-yl)-10-oxa-4-aza-tricyclo-[5.2.1.0]dec-8-ene-3,5-dione.

Project description:In the crystal of the title compound, C(10)H(11)NO(4), the hy-droxy group forms an O-H⋯O(carbon-yl) hydrogen bond with an adjacent molecule, so forming chains which extend along (010). Further weak C-H⋯O hydrogen-bonding associations give an infinite three-dimensional network structure.

| S-EPMC3297917 | biostudies-literature

4-Phenyl-1,2,4-tri-aza-spiro-[4.5]dec-1-ene-3-thione.

Project description:In the title compound, C13H15N3S, the 4,5-di-hydro-3H-1,2,4-triazole ring is nearly planar [maximum deviation = 0.020?(1)?Å], while the cyclo-hexane ring adopts a chair conformation. The dihedral angle between the 4,5-di-hydro-3H-1,2,4-triazole ring and the phenyl ring is 74.68?(7)°. No specific inter-molecular inter-actions are discerned in the crystal packing.

| S-EPMC3793756 | biostudies-literature

1-(3,5-Di-fluoro-phen-yl)-4,4,4-tri-fluoro-butane-1,3-dione.

Project description:In the title compound, C10H5F5O2, the C=O bonds are syn to one another. In the crystal, mol-ecules are linked into C(9) chains parallel to [101] through weak C-H?O inter-actions, with the O atom adjacent to the -CF3 group acting as the acceptor.

| S-EPMC3884355 | biostudies-literature

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.

| S-EPMC3793801 | biostudies-literature

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