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(E)-6-Meth-oxy-9-methyl-1,2,3,4-tetra-hydro-9H-carbazol-4-one oxime.

ABSTRACT: The title compound, C(14)H(16)N(2)O(2), is dimerized by inversion-related inter-molecular O-H?O and O-H?N hydrogen bonding. There is also an intra-molecular C-H?N bond, resulting in a six-membered ring.

SUBMITTER: Sheng W

PROVIDER: S-EPMC2961900 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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(E)-6-Meth-oxy-9-methyl-1,2,3,4-tetra-hydro-9H-carbazol-4-one oxime.

Sheng Wei W Zhang Qi-Hong QH Qiu Zhui-Bai ZB

Acta crystallographica. Section E, Structure reports online 20080705 Pt 8

The title compound, C(14)H(16)N(2)O(2), is dimerized by inversion-related inter-molecular O-H⋯O and O-H⋯N hydrogen bonding. There is also an intra-molecular C-H⋯N bond, resulting in a six-membered ring. ...[more]

PMID: 21203137

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6-Meth-oxy-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

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6-Meth-oxy-1-(4-meth-oxy-phen-yl)-1,2,3,4-tetra-hydro-9H-?-carbolin-2-ium acetate.

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2-[(E)-4-Meth-oxy-benzyl-idene]-1,2,3,4-tetra-hydro-naphthalen-1-one.

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3-Benzyl-8-meth-oxy-2-sulfanyl-idene-1,2,3,4-tetra-hydro-quinazolin-4-one.

Project description:The tetra-hydro-quinazole fused-ring system of the title compound, C(16)H(14)N(2)O(2)S, is roughly planar (r.m.s. deviation = 0.039?Å); the phenyl ring of the benzyl substituent is aligned at 78.1?(1)° with respect to the mean plane of the fused-ring system. In the crystal, two mol-ecules are linked by a pair of N-H?S hydrogen bonds about a center of inversion, generating a dimer.

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8-Methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.

Project description:In the title compound, C(13)H(13)NO, the dihedral angle between the benzene ring and the fused pyrrole ring is 0.96 (7)°. The cyclohexenone ring adopts an envelope conformation. Inter-molecular N-H⋯O hydrogen bonds form R(2) (2)(10) ring motifs in the crystal structure. Weak C-H⋯π inter-actions involving the benzene ring also occur.

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4-Fluoro-N-methyl-N-(1,2,3,4-tetra-hydro-carbazol-3-yl)benzene-sulfonamide.

Project description:In the title compound, C(19)H(19)FN(2)O(2)S, the hydrogenated six-membered ring of the carbazole unit adopts a half-chair conformation and the plane of the fluoro-phenyl ring forms a dihedral angle of 41.5 (1)° with respect to the carbazole mean plane. The crystal structure is segregated into layers containing the carbazole units and fluoro-phenyl rings in alternate (200) planes. The carbazole units form centrosymmetric face-to-face inter-actions [inter-planar separation = 4.06 (1) Å] and edge-to-face inter-actions in which the N-H group is directed towards an adjacent carbazole face, with a shortest H⋯C contact of 2.53 Å. The fluoro-phenyl rings form face-to-face contacts with an approximate inter-planar separation of 3.75 Å and a centroid-centroid distance of 4.73 (1) Å.

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Project description:The pyrimidine ring in the title compound, C(19)H(24)N(2)O(3), is nearly planar (r.m.s. deviation = 0.008?Å); the C atom at the 5-position deviates by 0.054?(3)?Å from the mean plane and the C atom at the 6-position by 0.006?(3)?Å in the opposite direction. The benzene ring is approximately perpendicular to the pyrimidine ring [dihedral angle = 83.90?(10)°]. The amino group is hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer. The cyclo-propyl ring is disordered over two sets of sites with the major component having 71.5?(4)% occupancy.

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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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Crystal structure of (E)-2-[(2-bromopyridin-3-yl)methyl-idene]-6-meth-oxy-3,4-di-hydro-naphthalen-1(2H)-one and 3-[(E)-(6-meth-oxy-1-oxo-1,2,3,4-tetra-hydro-naphthalen-2-ylidene)meth-yl]pyridin-2(1H)-one.

Project description:The title compounds C17H14BrNO2, (I), and C17H15NO3, (II), were obtained from the reaction of 6-meth-oxy-3,4-di-hydro-2H-naphthalen-1-one and 2-bromo-nicotinaldehyde in ethanol. Compound (I) was the expected product and compound (II) was the oxidation product from air exposure. In the crystal structure of compound (I), there are no short contacts or hydrogen bonds. The structure does display π-π inter-actions between adjacent benzene rings and adjacent pyridyl rings. Compound (II) contains two independent mol-ecules, A and B, in the asymmetric unit; both are non-planar, the dihedral angles between the meth-oxy-benzene and 1H-pyridin-2-one mean planes being 35.07 (9)° in A and 35.28 (9)°in B. In each mol-ecule, the 1H-pyridin-2-one unit participates in inter-molecular N-H⋯O hydrogen bonding to another mol-ecule of the same type (A to A or B to B). The structure also displays π-π inter-actions between the pyridyl and the benzene rings of non-equivalent mol-ecules (viz., A to B and B to A).

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