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3,9-Dimethyl-2,3-dihydro-phenanthro[1,2-b]furan-4,5-dione.

ABSTRACT: The title compound, C(18)H(14)O(3), consists of a four-ring system which contains three six-membered rings forming a phenanthrene-dione system and a five-membered 1,2-dihydro-methyl-furan ring. A three-dimensional supra-molecular framework is formed via non-classical inter-molecular C-H⋯O hydrogen bonds.

SUBMITTER: Yao JC

PROVIDER: S-EPMC2971911 | biostudies-literature |

REPOSITORIES: biostudies-literature

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3-(2,4-Dibromo-anilino)-2,2-dimethyl-2,3-dihydro-naphtho[1,2-b]furan-4,5-dione: a new substituted aryl-amino nor-β-lapachone derivative.

Project description:The title compound, C(20)H(15)Br(2)NO(3), shows the furan ring to adopt a half-chair conformation and the two ring systems to be approximately perpendicular [dihedral angle = 71.0 (2)°]. In the crystal structure, inter-molecular C-H⋯O contacts link the mol-ecules.

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3,9-Dimethyl-2,3-dihydro-spiro-[carb-az-ole-1,2'-[1,3]dithio-lan]-4(9H)-one.

Project description:The title compound, C16H17NOS2, consists of a carbazole skeleton with methyl and dithiol-ane groups as substituents. In the indole ring system, the benzene and pyrrole rings are nearly coplanar, forming a dihedral angle of 1.02 (11)°. The cyclo-hexenone ring has a twisted conformation, while the dithiol-ane ring adopts an envelope conformation with one of the CH2 C atoms at the flap. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into supra-molecular chains nearly parallel to the c axis. These hydrogen bonds together with weak C-H⋯π inter-actions link the molecules into a three-dimensional supramolecular network.

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2-Bromo-1,6,6-trimethyl-6,7,8,9-tetra-hydro-phenanthro[1,2-b]furan-10,11-dione.

Project description:In the title compound, C19H17BrO3, the ring skeleton is located on a crystallographic mirror plane; two C atoms of the cyclo-hexene ring are disordered over the two locations to satisfy the preferred ring conformation. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules into chains along the a axis. π-π stacking inter-actions between benzo-quinone rings, with a centroid-centroid distance of 3.7225 (4) Å, are also observed, which connect the chains into a two-dimensional networkparallel to the ab plane.

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8,8-Dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione.

Project description:In the title compound, C(18)H(15)NO(3), the fused benzopyran and pyridine rings are essentially coplanar [r.m.s. deviation = 0.0533 Å with a maximum deviation of 0.080 (1) Å for a benzene C atom]. The cyclo-hexa-none ring adopts an envelope conformation with the dimethyl-substituted C atom 0.660 (2) Å out of the plane formed by the remaining ring atoms (r.m.s. deviation = 0.0305 Å). The dihedral angle between the mean planes of the pyran and cyclo-hexa-none rings is 12.95 (6)°. In the crystal, mol-ecules are linked via C-H⋯O hydrogen bonds, leading to chains running along [011].

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2-Chloro-8,8-dimethyl-8,9-dihydro-7H-chromeno[2,3-b]quinoline-10,12-dione.

Project description:The asymmetric unit of the title compound, C(18)H(14)ClNO(3), contains two independent mol-ecules (A and B). In both mol-ecules, the cyclo-hexa-none ring has a chair conformation. The dihedral angles between the pyran ring and the pyridine and chloro-phenyl rings are 2.13 (9) and 2.19 (9)°, respectively, in A, and 0.82 (9) and 1.93 (9)°, respectively, in B. The carbonyl O atoms deviate from the pyran and benzene rings to which they are attached by -0.092 (2) and 0.064 (2) Å, respectively, in A, and by -0.080 (2) and -0.063 (2) Å, respectively, in B. In the crystal, the A mol-ecules are linked via C-H⋯O hydrogen bonds, forming double-stranded chains along [100]. They lie parallel to the double-stranded chains formed by the B mol-ecules, which are also linked via C-H⋯O hydrogen bonds. The chains stack up the c axis in an -A-A-B-B-A-A- manner, with a number of π-π inter-actions involving A and B mol-ecules; the centroid-centroid distances vary from 3.4862 (11) to 3.6848 (11) Å

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2-Phenyl-2,3-dihydro-phenanthro[9,10-b][1,4]dioxine.

Project description:In the title compound, C(22)H(16)O(2), the phenanthrene ring system is essentially planar [maximum deviation = 0.058 (1) Å] and is inclined at an angle of 58.39 (6)° to the phenyl ring. The 1,4-dioxane ring is in a chair conformation. In the crystal, mol-ecules are stacked along the b axis, but no significant hydrogen bonds are observed.

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3-{[3-(4-Chloro-phen-yl)-4,5-dihydro-1,2-oxazol-5-yl]meth-yl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The seven-membered ring of the title mol-ecule, C(21)H(20)ClN(3)O(3), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The substituent at the 3-position occupies an equatorial position; its five-membered ring is approximately planar (r.m.s. deviation = 0.081 Å), and is aligned at 14.5 (1)° with respect to the chloro-phenyl ring to which it is connected.

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3-{[3-(4-Meth-oxy-phen-yl)-4,5-dihydro-1,2-oxazol-5-yl]meth-yl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

Project description:The mol-ecule of the title compound, C(22)H(23)N(3)O(4), features a benzodiazepine fused-ring system whose seven-membered ring adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The methyl-ene C atom connected to the methine C atom occupies an equatorial position. The methyl-ene C atom is connected to the five-membered oxazole ring, both of which are disordered over two positions in a 0.634 (4):0.366 (4) ratio. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3151967 | biostudies-literature

1,4-Dihydro-benzo[g]quinoxaline-2,3-dione.

Project description:The title compound, C12H8N2O2, was prepared by the reaction of the diethyl ester of naphthalene-bis-(oxamate) with tert-BuNH2. The mol-ecule is nearly planar, with an r.m.s. deviation of 0.017?Å from the plane through all 16 non-H atoms. In the crystal, a three-dimensional network is formed, composed of layers of mol-ecules along the b- and c-axis directions, due to the formation of inter-molecular N-H?O hydrogen bonds, as well as of chains along the a-axis direction due to parallel displaced sandwich-type ?-? inter-actions with average distances between the inter-acting mol-ecules in the range 3.35-3.40?Å.

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1,2-Diiodo-4,5-dimethyl-benzene.

Project description:The structure of the title compound, C(8)H(8)I(2), conforms closely to the mm2 symmetry expected for the free mol-ecule and is the first reported structure of a diiodo-dimethyl-benzene. Repulsion by neighboring I atoms and the neighboring methyl groups opposite to them results in a slight elongation of the mol-ecule along the approximate twofold rotation axis that bis-ects the ring between the two I atoms. In the extended structure, the mol-ecules form inversion-related pairs which are organized in approximately hexa-gonal close-packed layers and the layers then stacked so that mol-ecules in neighboring layers abut head-to-tail in a manner that optimizes dipole-dipole inter-actions.

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