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14-Meth-oxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-di-aza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

ABSTRACT: The title compound, C23H20N2O6, crystallizes with two mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the pyran and phenyl rings are 66.6?(1) and 61.9?(1) °. The fused pyrone and pyran rings each adopts a sofa conformation. In the crystal, C-H?O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to [001].

SUBMITTER: Jagadeesan G

PROVIDER: S-EPMC3793711 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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14-Meth-oxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-di-aza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

Jagadeesan G G Jayashree S S Kannan D D Bakthadoss M M Aravindhan S S

Acta crystallographica. Section E, Structure reports online 20130703 Pt 8

The title compound, C23H20N2O6, crystallizes with two mol-ecules in the asymmetric unit in which the dihedral angles between the mean planes of the pyran and phenyl rings are 66.6 (1) and 61.9 (1) °. The fused pyrone and pyran rings each adopts a sofa conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to [001]. ...[more]

PMID: 24109298

Similar Datasets

14-Eth-oxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diaza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

Project description:In the title compound, C23H20N2O6, the fused pyrone and pyran rings each adopt a sofa conformation. The dihedral angle between the mean planes of the pyran and phenyl rings is 61.9?(1)°. In the crystal, mol-ecules are linked by two pairs of C-H?O hydrogen bonds, forming dimers. These dimers are linked via a third C-H?O hydrogen bond, forming a two-dimensional network parallel to (10-2).

| S-EPMC3588261 | biostudies-literature

14-Eth-oxy-4,6,9-trimethyl-8,12-dioxa-4,6-diaza-tetra-cyclo-[8.8.0.0(2,7).0(13,18)]octa-deca-2(7),13,15,17-tetra-ene-3,5,11-trione.

Project description:In the title compound, C(19)H(20)N(2)O(6), the pyrone and pyran rings adopt envelope conformations with the same common C atom as the flap, the dihedral angle between the planes of the remaining ring atoms being 68.27?(4)°. The planar atoms of the pyran ring and the diaza-cyclic ring are almost coplanar, the dihedral angle between their mean planes being 3.29?(7)°. Moreover, the planar atoms of the pyrone ring and benzene ring of the coumarin unit are also close to coplanar, the dihedral angle between their mean planes being 8.03?(9)°. The meth-oxy group lies in the plane of the benzene ring, with a dihedral angle between their mean planes of 9.4?(2)°. In the crystal, the molecules are linked by C-H?O hydrogen bonds resulting in sheets of mol-ecules in the ac plane.

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Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C33H26N2O4, the pyrazole ring makes dihedral angles of 15.13?(7) and 60.80?(7)° with the adjacent phenyl rings. Both di-hydro-pyran rings exhibit half-chair conformations. A weak intra-molecular C-H?O inter-action occurs. In the crystal, mol-ecules are linked into inversion dimers through pairs of C-H?N inter-actions. Weak C-H?? inter-actions are also observed.

| S-EPMC3772469 | 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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Dimethyl 11,13-dimethyl-16-[1,2-bis-(methoxy-carbon-yl)ethen-yl]-12-oxo-16,17-dioxa-18-aza-hexa-cyclo-[7.5.1.1.1.1.0]octa-deca-2,7-diene-2,3-dicarboxyl-ate.

Project description:The title compound, C(27)H(29)NO(11), is a product of the tandem 'domino' Diels-Alder reaction. The mol-ecule comprises a fused hexa-cyclic system containing four five-membered rings (two dihydro-furan and two tetra-hydro-furan) in the usual envelope conformations and two six-membered rings (tetra-hydro-pyridinone and piperidine) adopting slightly flattened boat and chair conformations, respectively. The dispositions of the carboxyl-ate substituents relative to each other are determined by both steric reasons and inter-molecular C-H?O hydrogen bonding and attractive anti-parallel C=O?C=O inter-actions [C?O = 2.995?(2)?Å].

| S-EPMC2972130 | biostudies-literature

Crystal structure of methyl 6-meth-oxy-11-(4-meth-oxy-phen-yl)-16-methyl-14-phenyl-8,12-dioxa-14,15-di-aza-tetra-cyclo-[8.7.0.0(2,7).0(13,17)]hepta-deca-2(7),3,5,13(17),15-penta-ene-10-carboxyl-ate.

Project description:In the title compound, C30H28N2O6, the pyran ring adopts a slightly distorted half-chair conformation and the pyrone ring adopts an envelope conformation, with the C atom bearing the carboxyl-ate group as the flap. The pyrazole ring [maximum deviation = 0.002?(2)?Å] forms a dihedral angle of 13.2?(1)° with the attached benzene ring. The near-planar atoms of the pyran ring and the pyrazole ring are close to coplanar, the dihedral angles between their mean planes being 6.4?(1)°. The dihedral angle between the pyrone ring and the benzene ring of the chromene unit is 10.7?(1)°. The mol-ecular conformation is stabilized by an intra-molecular C-H?O hydrogen bond, which generates an S(6) ring motif. In the crystal, C-H?O inter-actions generate supra-molecular chains propagating in [100] and these are connected into double layers that stack along the c-axis direction by weak ?-? inter-actions between pyrazole rings [centroid-centroid distance = 3.801?(1)?Å].

| S-EPMC4186142 | biostudies-literature

17-(Pyrimidin-2-yl)-8,16-dioxa-17-aza-tetra-cyclo-[7.7.1.0.0]hepta-deca-2,4,6,10,12,14-hexa-ene.

Project description:In the title compound, C(18)H(13)N(3)O(2), the benzene rings form a dihedral angle of 78.49?(9)°. The dihedral angles between the benzene rings and the pyrimidine ring are 76.53?(10) and 27.73?(11)°. The two cis-fused six-membered heterocyclic rings adopt half-chair confirmations. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming chains parallel to the b axis.

| S-EPMC3275195 | biostudies-literature

8,15-Dioxa-10,13-di-aza-tetra-cyclo-[14.4.0.0(2,7).0(9,14)]icosa-1(16),2,4,6,9(14),10,12,17,19-nona-ene.

Project description:The asymmetric unit of the title compound, C16H10N2O2, contains one half-mol-ecule, the complete mol-ecule being generated by twofold rotation symmetry. The plane of the pyrazine ring forms a dihedral angle of 64.87?(6)° with that of the benzene ring, and the planes of the two benzene rings are inclined to one another by 54.20?(6)°. The O atom deviates from the plane of the benzene ring by 0.1549?(8)?Å. There are no significant inter-molecular inter-actions in the crystal.

| S-EPMC3648330 | biostudies-literature

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