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16-Methyl-11-(2-methyl-phen-yl)-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-carbo-nitrile.

ABSTRACT: In the title compound, C28H23N3O2, the pyrazole ring makes a dihedral angle of 16.90?(6)° with the phenyl ring to which it is attached. Both di-hydro-pyran rings exhibit half-chair conformations. Intramolecular C-H?O interactions generate S(6) and S(8) ring motifs. In the crystal, weak C-H?O and C-H?? interactions occur.

SUBMITTER: Kanchanadevi J

PROVIDER: S-EPMC3885026 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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16-Methyl-11-(2-methyl-phen-yl)-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-carbo-nitrile.

Kanchanadevi Jeevanandam J Anbalagan Gopalakrishnan G Kannan Damodharan D Bakthadoss Manickam M Manivannan Vadivelu V

Acta crystallographica. Section E, Structure reports online 20131106 Pt 12

In the title compound, C28H23N3O2, the pyrazole ring makes a dihedral angle of 16.90 (6)° with the phenyl ring to which it is attached. Both di-hydro-pyran rings exhibit half-chair conformations. Intramolecular C-H⋯O interactions generate S(6) and S(8) ring motifs. In the crystal, weak C-H⋯O and C-H⋯π interactions occur. ...[more]

PMID: 24454201

Similar Datasets

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

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

4-Methyl-2,7-dioxo-3,6-dioxa-1(1,1')-ferrocenacyclo-hepta-phane.

Project description:In the title compound, [Fe(C(15)H(14)O(4))], the two cyclo-penta-dienyl (Cp) rings are nearly parallel, making a dihedral angle of 2.6 (1)°. The distance between the centroids of the Cp rings is 3.309 (8) Å. The relative orientation of the two Cp rings is characterized by a torsion angle of -43.99 (6)° defined by the two centroids and the two substituted C atoms.

| S-EPMC3151989 | biostudies-literature

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

1,4,6,9-Tetra-tert-butyl-2,7-dioxa-tricyclo-[6.3.0.0(3,6)]deca-3,8-diene.

Project description:The title compound, C(24)H(40)O(2), lies on an inversion center with a half-mol-ecule in the asymmetric unit. The central dioxane ring adopts a chair conformation. The four-membered ring is slightly puckered with a butterfly angle of 13.50?(14)°.

| S-EPMC3569264 | biostudies-literature

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.

Project description: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].

| S-EPMC3793711 | biostudies-literature

9-Eth-oxy-1,5,13-trimethyl-8,10-dioxa-tetra-cyclo-[7.7.1.0.0]hepta-deca-2,4,6,11,13,15-hexa-ene.

Project description:The reaction of ethyl acetoacetate with meta-cresol in an acidic ionic liquid yielded a complex mixture of condensation products. 4,7-Dimethyl-coumarin and the title compound, C(20)H(22)O(3), were isolated. The title compound shows chemical but not crystallographic mirror symmetry. The two aromatic rings are inclined at an angle of 73.55?(6)°.

| S-EPMC2970093 | 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.

| S-EPMC3569800 | biostudies-other

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

2-Methyl-1-phenyl-1H-indole-3-carbo-nitrile.

Project description:In the title compound, C(16)H(12)N(2), the dihedral angle between the indole ring system and the pendant phenyl ring is 64.92?(5)°. The crystal packing features aromatic ?-? stacking [centroid-centroid separation = 3.9504?(9)?Å] and C-H?? inter-actions.

| S-EPMC3247318 | biostudies-literature

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