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9,9-Dimethyl-12-phenyl-8,9-dihydro-12H-benzo[a]xanthen-11(10H)-one.

ABSTRACT: The title compound, C(25)H(22)O(2), was synthesized via the three-component coupling of benzaldehyde, 2-naphthol and 5,5-dimethyl-cyclo-hexane-1,3-dione. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by pairs of inter-molecular C-H⋯O hydrogen bonds. The dimers are further connected into a three-dimensional network by π-π aromatic stacking inter-actions involving the naphthalene ring system, with centroid-centroid separations of 3.695 (7) Å.

SUBMITTER: Zhang Y

PROVIDER: S-EPMC2971999 | biostudies-literature |

REPOSITORIES: biostudies-literature

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12-(2-Methoxyphenyl)-9,9-dimethyl-8,9-dihydro-12H-benzo[a]xanthen-11(10H)-one.

Project description:The title compound, C(26)H(24)O(3), was synthesized via the coupling of 2-methoxy-benzaldehyde, 2-naphthol and 5,5-dimethyl-cyclo-hexane-1,3-dione. The pyran ring adopts a boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 2-methoxy-phenyl ring is almost perpendic-ular to the plane through the four C atoms of the pyran ring [dihedral angle = 88.76?(9)°].

| S-EPMC2980265 | biostudies-literature

9,9-Dimethyl-12-(4-nitro-phen-yl)-9,10-dihydro-12H-benzo[a]xanthen-11(8H)-one.

Project description:In the mol-ecular structure of the title compound, C(25)H(21)NO(4), the pyran ring adopts a flattened boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 4-nitro-phenyl ring is almost perpendicular to the pyran ring [dihedral angle = 89.39 (1)°]. In the crystal, mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2972096 | biostudies-literature

12-(4-Chloro-phen-yl)-9,9-dimethyl-9,10-dihydro-8H-benzo[a]xanthen-11(12H)-one.

Project description:The title compound, C(25)H(21)ClO(2), was synthesized via the three-component coupling of 4-chloro-benzaldehyde, 2-naphthol and 5,5-dimethyl-cyclo-hexane-1,3-dione. The pyran ring adopts a boat conformation, while the cyclo-hexenone ring is in an envelope conformation. The 4-chloro-phenyl ring is almost perpendicular to the pyran ring [dihedral angle = 87.39 (1)°]. In the crystal, mol-ecules are connected by inter-molecular C-H⋯O hydrogen bonds.

| S-EPMC2983494 | biostudies-literature

12-(2-Hy-droxy-6-oxo-cyclo-hex-1-en-yl)-9,10-di-hydro-8H-benzo[a]xanthen-11(12H)-one.

Project description:In the xanthenone system of the title compound, C23H20O4, the pyran ring has a maximum deviation of 0.111?(1)?Å from planarity and the outer cyclo-hexene ring exhibits a puckered conformation. The three methyl-ene C atoms of the cyclo-hexene ring bonded to the pyran unit are disordered over two sets of sites [occupancies = 0.570?(3) and 0.430?(3)]. In the crystal, mol-ecules are linked by C-H?O and O-H?O hydrogen bonds, forming a two-dimensional network parallel to (110). A C-H?? inter-action occurs between these networks.

| S-EPMC3790420 | biostudies-literature

11-(4-Methyl-phen-yl)-8,9-dihydro-7H-benzo[f]cyclo-penta-[b]quinolin-10(11H)-one.

Project description:In the title compound, C(23)H(19)NO, the naphthalene ring system and the cyclo-pent-2-enone ring exhibit planar conformations with maximum deviations of 0.034 (1) and 0.02 (1) Å, respectively. The 1,4-dihydro-pyridine ring adopts an envelope conformation with the C atom bearing the p-tolyl ring as the flap atom. Inter-molecular N-H⋯O hydrogen bonds and C-H⋯π inter-actions stabilize the crystal packing.

| S-EPMC3435758 | biostudies-literature

8,9-Dimeth-oxy-5-phenyl-sulfonyl-5H-benzo[b]carbazole.

Project description:In the title compound, C(24)H(19)NO(4)S, the benzocarbazole ring system is planar (r.m.s. deviation = 0.016?Å) and forms a dihedral angle of 78.54?(4)° with the sulfonyl-bound phenyl ring. Intra-molecular C-H?O inter-actions are observed. A C(8) chain running along the b axis is formed via inter-molecular C-H?O hydrogen bonds. The chains are linked via weak C-H? ? inter-actions.

| S-EPMC2979030 | biostudies-literature

10,12-Dimethyl-pteridino[6,7-f][1,10]phenanthroline-11,13(10H,12H)-dione-chloro-form (1/1).

Project description:In the title co-crystal, C(18)H(12)N(6)O(2)·CHCl(3), intra-molecular Cl(3)C-H⋯N hydrogen-bonding inter-actions occur between a single CHCl(3) and both N atoms at the 1,10-positions on the phenanthroline portion of the mol-ecule. The inter-planar distance between inversion-related mol-ecules is 3.241 (2) Å.

| S-EPMC3007872 | biostudies-literature

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].

| S-EPMC3569786 | biostudies-literature

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

| S-EPMC3569785 | biostudies-literature

2-Butyl-11-phenyl-5,10-dihydro-1H-benzo[e]imidazo[1,5-a][1,4]diazepine-1,3(2H)-dione.

Project description:The title compound, C(21)H(21)N(3)O(2), was obtained following a five-step synthetic procedure yielding weakly diffracting rod and needle-shaped crystals which crystallized concomitantly. Structural analysis of a rod-shaped crystal showed that the central seven-membered heterocyclic ring adopts a conformation that is perhaps best described as a distorted boat, with the H-bearing (CH(2) and NH) atoms lying well out of the least-squares mean plane fitted through the other five atoms in the ring (r.m.s. deviation 0.075 Å). In the crystal, the compound packs as a twisted chain, which propagates along the b axis by means of an R(1) (2)(6) motif formed by one of the carbonyl O atoms acting as a bifurcated acceptor in an N-H⋯O and C-H⋯O inter-action. No diffraction was observed from the needle-shaped crystals.

| S-EPMC2983587 | biostudies-literature

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