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1-Methyl-7-(4-nitro-phen-yl)-3-phenyl-pyrazolo[3,4-b]pyrrolo[3,4-d]pyridine-6,8(3H,7H)-dione.

ABSTRACT: In the title compound, C(21)H(13)N(5)O(4), the dihedral angles formed between the planes of the phenyl and nitro-phenyl rings and that of the heterotricyclic plane are 41.29 (7) and 61.35 (6)°, respectively. In the crystal, weak C-H⋯O interactions help to establish the packing.

SUBMITTER: Sabino JR

PROVIDER: S-EPMC2959918 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3,7-Dihydr-oxy-3,7-diphenyl-2H,6H-pyrrolo[3,4-f]isoindole-1,5(3H,7H)-dione methanol disolvate.

Project description:The asymmetric unit of the title compound, C(22)H(16)N(2)O(4)·2CH(4)O, contains one half-mol-ecule and a methanol solvent mol-ecule. The aromatic ring is oriented at a dihedral angle of 82.91 (3)° with respect to the planar indole ring systems. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules into chains along the b axis.

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6,6'-(Pyridine-2,6-di-yl)bis-(pyrrolo-[3,4-b]pyridine-5,7-dione).

Project description:The title compound, C(19)H(9)N(5)O(4), has crystallographically imposed twofold rotational symmetry. The asymmetric unit contains one half-mol-ecule. The crystal structure is stabilized by π-π stacking of inversion-related pyrrolo-[3,4-b]pyridine rings, with a centroid-centroid distance between stacked pyridines of 3.6960 (8) Å. The dihedral angle between the central pyridine ring and the pyrrolo-pyridine side rings is 77.86 (2)° while the angle between the two side chains is 60.87 (2)°.

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3,4,6-Trimethyl-1-phenyl-1H-pyrazolo-[3,4-b]pyridine.

Project description:In the title compound, C(15)H(15)N(3), the 1H-pyrazolo-[3,4-b]pyridine system and the phenyl ring are each individually planar, with r.m.s. deviations of 0.017?(2) and 0.011?(2)?Å, respectively; the dihedral angle between the two aromatic systems is 9.33?(10)°. The crystal packing is stabilized by offset ?-? stacking between parallel pyrazolo-[3,4-b]pyridine ring systems [face-to-face distance = 3.449?(6)?Å].

| S-EPMC3007300 | biostudies-literature

4-Chloro-7-methoxy-methyl-2-phenyl-7H-pyrrolo[2,3-b]pyridine.

Project description:In the title compound, C(15)H(13)ClN(2)O, the phenyl group makes a dihedral angle of 7.91 (8)° with the pyrrole ring. The crystal structure forms a three-dimensional network stabilized by π-π inter-actions [centroid-centroid distances = 3.807 (1) Å] between the pyridine and phenyl rings and via inter-molecular C-H⋯O hydrogen bonds.

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6-Amino-3-methyl-4-(4-nitro-phen-yl)-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonitrile.

Project description:The title compound, C(20)H(14)N(6)O(2), contains four rings. The dihedral angle between the pyridine ring and the pyrazole ring is 1.9 (1)°, i.e. almost coplanar, which gives rise to a conjugated structure. The dihedral angle between the nitro-substituted phenyl ring and the pyridine ring is 76.3 (1)° and that between the pyrazole ring and the non-substituted phenyl ring is 40.5 (1)°. In the crystal structure, symmetry-related mol-ecules are linked by N-H⋯O and C-H⋯N hydrogen bonds.

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6-Benzyl-6,7-dihydro-5H-pyrrolo-[3,4-b]pyridine-5,7-dione.

Project description:In the title compound, C(14)H(10)N(2)O(2), the dihedral angle between the heterocyclic ring system and the phenyl ring is 45.8 (5)°. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure.

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1,4-Dimethyl-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5(4H)-one.

Project description:The title compound, C(18)H(15)N(3)O, is the product of the thermal decomposition of the diazo-nium salt derived from 2-amino-N-methyl-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide. It is characterized by a trans orientation of the methyl groups with respect to the tricyclic ring system. The mol-ecule has a nearly planar phenyl-pyrazolo[3,4-c]isoquinolin-5-one system, the largest deviation from the mean plane being 0.066 (2) Å for the O atom. The dihedral angle between the phenyl substituent and the heterotricycle is 67 (1)°. The packing is stabilized by C-H⋯N hydrogen-bond inter-actions, with the formation of mol-ecular chains along the c axis.

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4-(4-Methoxy-phen-yl)-1-phenyl-pyridine-2,6(1H,3H)-dione.

Project description:In the title compound, C(18)H(15)NO(3), the pyridine-2,6-dione ring adopts an envelope conformation. The phenyl ring lies approximately perpendicular to the mean plane of the pyridine-2,6-dione ring [dihedral angle = 81.5?(1)°], while the methoxy-phenyl ring is tilted to the same plane by a dihedral angle of 34.8?(1)°. Inter-molecular C-H?O inter-actions link the mol-ecules into chains along [100].

| S-EPMC2969535 | biostudies-literature

1-Benzyl-6,8-dimethyl-4-phenyl-2-tosyl-1,2,3,3a,4,6,7,8,9,9b-deca-hydro-pyrrolo[3,4-c]pyrano[6,5-d]pyrimidine-7,9-dione.

Project description:The mol-ecule of the title compound, C(31)H(31)N(3)O(5)S, adopts a folded conformation, with the sulfonyl-bound phenyl ring lying over the pyrimidine ring [dihedral angle = 12.04?(6)° and centroid-centroid separation = 3.6986?(8)?Å]. The pyrrolidine ring adopts a twist conformation, the dihydro-pyran ring is in a half-chair conformation and the two rings are cis-fused. The tosyl group is attached to the pyrrolidine ring in an equatorial position while the benzyl group is axially attached. The mol-ecular structure is stabilized by weak C-H?O hydrogen bonds and C-H?? inter-actions. In the crystal, pairs of mol-ecules related by inversion symmetry are linked by C-H?O hydrogen bonds, forming chains propagating along the c axis which are cross-linked into a three-dimensional framework by further C-H?O links.

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9-(3,4-Dimeth-oxy-phen-yl)-3,3,6,6-tetra-methyl-4,5,6,9-tetra-hydro-3H-xanthene-1,8(2H,7H)-dione.

Project description:The asymmetric unit of the title xanthene compound, C(25)H(30)O(5), contains two mol-ecules in which the pyran ring and the dimeth-oxy-phenyl ring are nearly perpendicular to one another [dihedral angles = 86.81?(8) and 84.45?(9)°]. One of the meth-oxy groups in one mol-ecule is twisted away from the phenyl ring [C-O-C-C torsion angle = -103.40?(16)°]. The pyran ring adopts a boat conformation whereas the two fused cyclo-hexane rings adopt envelope conformations in both mol-ecules. In the crystal, mol-ecules are linked into a three-dimensional network by C-H?O hydrogen bonds.

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