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6,7-Dimeth-oxy-3-meth-oxy-carbonyl-1-(2-meth-oxy-phen-yl)-3,4-dihydro-isoquinoline 2-oxide.

ABSTRACT: In the title compound, C(20)H(21)NO(6), an N-oxide-based organocatalyst, the N-containing six-membered ring adopts a twisted half-chair conformation. No hydrogen bonding or ?-? stacking was found within the crystal structure.

SUBMITTER: Naicker T

PROVIDER: S-EPMC3120572 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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6,7-Dimeth-oxy-3-meth-oxy-carbonyl-1-(2-meth-oxy-phen-yl)-3,4-dihydro-isoquinoline 2-oxide.

Naicker Tricia T Govender Thavendran T Kruger Hendrik G HG Maguire Glenn E M GE

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

In the title compound, C(20)H(21)NO(6), an N-oxide-based organocatalyst, the N-containing six-membered ring adopts a twisted half-chair conformation. No hydrogen bonding or π-π stacking was found within the crystal structure. ...[more]

PMID: 21754746

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Methyl 1-cyclo-hexyl-6,7-dimeth-oxy-3,4-dihydro-isoquinoline-3-carboxyl-ate.

Project description:There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(25)NO(4). A single C-H?? inter-action and various inter-molecular contacts (2.65-2.83?Å) link the independent mol-ecules in the crystal structure. The N-containing six-membered ring assumes a twisted half-boat conformation.

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(1R,3S)-Methyl 6,7-dimeth-oxy-1-(4-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-isoquinoline-3-carboxyl-ate.

Project description:The title compound, C(20)H(23)NO(5), is the third in a series of tetra-hydoisoquinoline (TIQ) compounds that are precursors to novel chiral catalysts. The N-containing six-membered ring assumes a half-boat conformation. No hydrogen bonding is observed in the crystal structure.

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3-(4-Meth-oxy-phen-yl)-6,7-dihydro-1H-furo[3,4-c]pyran-4(3H)-one.

Project description:In the title compound, C14H14O4, the dihedral angle between the hydro-furan and benzene rings is 88.41?(15)°. The hydro-pyran ring adopts an envelope conformation, with the O-bound methyl-ene C atom as the flap. In the crystal, weak aromatic ?-? stacking is observed [centroid-centroid separation = 3.848?(2)?Å].

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3,4-Bis[4-(4-meth-oxy-phen-oxy)phen-yl]-2,5-dihydro-furan-2,5-dione.

Project description:In the crystal structure of the title compound, C(30)H(22)O(7), neighbouring benzene rings are twisted out of the plane of the five-membered ring by 27.30?(3) and 45.47?(3)°.

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2-Amino-4-(3,4-dimeth-oxy-phen-yl)-5,6-dihydro-benzo[h]quinoline-3-carbo-nitrile-3-amino-1-(3,4-dimeth-oxy-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile (1/19).

Project description:The asymmetric unit of the 1:19 title co-crystal of 2-amino-4-(3,4-dimeth-oxy-phen-yl)-5,6-dihydro-benzo[h]quinoline-3-carbo-nitrile and 3-amino-1-(3,4-dimeth-oxy-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile, 0.05C(22)H(19)N(3)O(2)·0.95C(24)H(19)N(3)O(2), has the atoms of the fused-ring system and those of the amino, cyano and dimeth-oxy-phenyl substitutents overlapped. The fused-ring system is buckled owing to the ethyl-ene linkage in the central ring with the two flanking aromatic rings being twisted by 31.9?(1)°. The ring of the dimeth-oxy-phenyl substituent is twisted by 72.4?(1)° relative to the amino- and cyano-bearing aromatic ring. In the crystal, mol-ecules are linked by duplex amine N-H?O(meth-oxy) hydrogen bonds in a cyclic association [graph-set R(2) (2)(7)], generating a helical chain structure extending along [201].

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3-Amino-1-(3,4-dimeth-oxy-phen-yl)-9,10-dihydro-phenanthrene-2,4-dicarbonitrile.

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1-[4-(Difluoro-meth-oxy)phen-yl]-N-(3,4-dimeth-oxy-phen-yl)-1H-1,2,4-triazole-3-carboxamide.

Project description:Two crystallographically independent mol-ecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C(18)H(16)F(2)N(4)O(4). In mol-ecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoro-meth-oxy-substituted and the 3,4-dimeth-oxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The -CHF(2) group is twisted away from the plane of the benzene ring, with a dihedral angle between the O-C bond of the OCHF(2) group and the plane of the adjacent phenyl ring of 38.6 (3)°. The corresponding parameters for mol-ecule B are 7.7 (1), 9.5 (2) and 25.2 (2)°. In both mol-ecules, the conformations are stabilized by intra-molecular N-H⋯N and C-H⋯O hydrogen bonds. There are also C-H⋯π contacts between the methyl groups and the benzene rings, and π-π stacking inter-actions between the benzene rings of adjacent parallel A mol-ecules [centroid-centroid distance = 3.8942 (17) Å]. π-π inter-actions are also observed between the triazole ring and one of the benzene rings of parallel B mol-ecules [centroid-centroid distance = 3.7055 (16) Å].

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Project description:In the title compound, C(18)H(15)NO(4), the benzene rings form quite different dihedral angles [16.07 (1) and 59.50 (1)°] with the central pyrrole ring, indicating a twisted mol-ecule. Conjugation is indicated between the five- and six-membered rings by the lengths of the C-C bonds which link them [1.462 (3) and 1.477 (3) Å]. The most prominent feature of the crystal packing is the formation of inversion dimers via eight-membered {⋯HNCO}(2) synthons.

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5-Hy-droxy-3,4',6,7-tetra-meth-oxy-flavone.

Project description:The title compound, C(19)H(18)O(7) [systematic name 5-hy-droxy-3,6,7-tri-meth--oxy-2-(4-meth-oxy-phen-yl)-4H-1-benzopyran-4-one], is a flavonoid which was isolated from the traditional Chinese medicine Laggera alata. The benzene ring of the benzopyran-one unit forms dihedral angles of 1.72?(3) and 37.39?(5)° with the pyran ring and the substituent benzene ring, respectively. The mol-ecular conformation is stabilized by an intra-molecular phenol O-H?O(ketone) hydrogen bond.

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