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4-(8-Eth-oxy-2,3-dihydro-1H-cyclo-penta-[c]quinolin-4-yl)butane-1-peroxol.

ABSTRACT: In the title mol-ecule, C(18)H(23)NO(3), the hydro-per-oxy-butyl substituent is nearly fully extended, with the four torsion angles in the range 170.23 (10)-178.71 (9)°. The O-O distance in the hydro-peroxide group is 1.4690 (13) Å. This group acts as an inter-molecular hydrogen-bond donor to a quinoline N atom. This results in dimeric units about the respective inversion centers, with graph-set notation R(2) (2)(18).

SUBMITTER: Fotie J

PROVIDER: S-EPMC3006979 | biostudies-literature |

REPOSITORIES: biostudies-literature

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2-(2,4,5-Trimeth-oxy-phen-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title aza-flavanone, C(18)H(19)NO(4), an intra-molecular cyclization product of chalcone, the central heterocyclic ring is in an envelope conformation and the dihedral angle between the benzene rings is 51.03?(10)°. The meth-oxy groups at the ortho and para positions are slightly twisted from the benzene ring to which they are bound [C-O-C-C = 21.9?(3) and -171.93?(18)°, respectively], whereas the meth-oxy group at the meta position is almost coplanar [C-O-C-C = 3.5?(3)°]. In the crystal, mol-ecules are linked by N-H?O hydrogen bonds and weak C-H?O inter-actions into chains along the [001] direction. Weak C-H?? inter-actions also occur.

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Project description:The title compound, C(24)H(24)N(2)O(4)·CH(3)CN, a disubstituted benzimidazole, crystallized as an acetonitrile monosolvate. The benzene ring of the 2-eth-oxy-6-methyl-phenol substiuent is approximately perpendicular to the nearly planar benzimidazole ring system [maximum deviation = 0.016 (1) Å], making a dihedral angle of 84.27 (8)°. The benzene ring of the 2-eth-oxy-phenol substituent is inclined to the benzimidazole mean plane by 29.68 (8)°. The dihedral angle between the benzene rings is 80.36 (9)°. In the mol-ecule, there are strong O-H⋯N and O-H⋯O hydrogen bonds. In the crystal, mol-ecules are connected by bifurcated O-H⋯(O,O) hydrogen bonds, forming chains propagating along [010].

| S-EPMC3344524 | biostudies-literature

5-Bromo-2,3-dihydro-1H-cyclo-penta-[a]naphthalen-1-one.

Project description:The title compound, C(13)H(9)BrO, has been synthesized by the intra-molecular Friedel-Crafts reaction of 1-(1-bromo-4-naphth-yl)-3-chloro-propan-1-one. There are two approximately planar [maximum deviations of 0.8 (2) and 0.4 (2) Å in the two mol-ecules] molecules in the asymmetric unit. The dihedral angle between their mean planes is 19.72 (8)°. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure.

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Project description:In the title compound, C(20)H(19)N(3)O(3), the inter-planar angle between the benzimidazole unit and the quinoline unit is 25.1?(2)°. Two different hydrogen bonds involving the hydr-oxy group and the imidazole unit are present. An intra-molecular N-H?O hydrogen bond links the hydr-oxy group of the side chain with the imidazole unit, forming a 12-membered ring, and an inter-molecular O-H?N hydrogen bond links the mol-ecules, forming chains in the crystallographic b direction.

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| S-EPMC3213526 | biostudies-literature

rac-2-(2-Chloro-6-methyl-quinolin-3-yl)-2,3-dihydro-quinolin-4(1H)-one.

Project description:In the title compound, C(19)H(15)ClN(2)O, the quinoline ring forms a dihedral angle of 43.24?(1)° with the benzene ring of the dihydroquinolinyl system. In the crystal, mol-ecules are linked through a single weak C-H?O hydrogen bond, forming ribbons which extend along (100), giving alternating zigzag mol-ecular layers which stack down the b-axis direction.

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2-(2-{[4-Oxo-3-(2-phenyl-eth-yl)-3,4-dihydro-quinazolin-2-yl]sulfan-yl}eth-yl)-2,3-dihydro-1H-isoindole-1,3-dione.

Project description:In the title compound, C(26)H(21)N(3)O(3)S, the quinazolinyl group is essentially planar [r.m.s. deviation for the 10 non-H atoms = 0.057?Å]. The isoindoline-1,3-dione group is linked by an SCH(2)CH(2) chain to the pyrimidinyl C atom that lies between the two N atoms. Also, the phenyl group is linked by a CH(2)CH(2) chain at the N atom adjacent to the carbonyl group. This results in a conformation with these substituents lying to either side of the central quinazolinyl unit, with the former being approximately parallel [dihedral angle = 4.93?(7)°], and the phenyl group being inclined [dihedral angle = 71.61?(9)°] to the central quinazolinyl fused-ring system. In the crystal, mol-ecules are consolidated into a three-dimensional architecture by C-H?O inter-actions, involving all three carbonyl-O atoms, and ?-? inter-actions occurring between the pyrimidinyl and isoindole-benzene rings [inter-centroid distance = 3.5330?(13)?Å].

| S-EPMC3393323 | biostudies-literature

1-{[(2,3-Dihydro-1H-inden-2-yl)-oxy]meth-yl}quinazoline-2,4(1H,3H)-dione.

Project description:In the title mol-ecule, C(18)H(16)N(2)O(3), the five-membered ring has an envelope conformation, with the substituted C atom deviating by 0.342 (4) Å from the mean plane P calculated for the remainder of the non-H atoms of the 2,3-dihydro-1H-indene fragment. The mean planes of quinazoline-2,4(1H,3H)-dione fragment and P form a dihedral angle of 59.08 (4)°. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules into inversion dimers, and weak C-H⋯O hydrogen bonds and π-π inter-actions between the benzene rings of the quinazoline ring systems [centroid-centroid distance = 3.538 (3) Å] further consolidate the packing.

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Project description:In the title compound, C(16)H(15)NO, the two aromatic rings are approximately perpendicular; the carbonyl group is twisted out of the adjacent benzene ring by 14.8 (2)°. In the heterocyclic ring, the C atom linked to the carbonyl group and the C atom linked to the N atom have opposite deviations of 0.467 (5) and 0.184 (4) Å, respectively, from the plane of the benzene ring. The N atom lies approximately in the plane of the phenyl ring. There are no conventional hydrogen bonds; the packing of mol-ecules in the crystal structure is stabilized by van der Waals forces.

| S-EPMC2960188 | biostudies-literature

3-Eth-oxy-methyl-1,4-dihydro-quinolin-4-one.

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| S-EPMC3394025 | biostudies-literature

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