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

ABSTRACT: 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.

SUBMITTER: Al-Salahi R

PROVIDER: S-EPMC3379381 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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

Al-Salahi Rashad R Al-Omar Mohamed M Marzouk Mohamed M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20120519 Pt 6

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. ...[more]

PMID: 22719579

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

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Crystal structure of ethyl 4-(2-meth-oxy-phen-yl)-6-methyl-2-sulfanyl-idene-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

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Project description:The asymmetric unit of the compound, C(20)H(26)N(2)O(5)·0.5C(2)H(5)OH, consists of two tetra-hydro-pyrimidine-2,4-dione mol-ecules and an ethanol mol-ecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006?Å in one mol-ecule and 0.009?Å in the other); the C atom at the 5-position deviates by 0.083?(3)?Å [0.064?(3)?Å in the second mol-ecule] from the mean plane and the C atom at the 6-position by 0.034?(3)?Å [0.082?(3)?Å in the second mol-ecule]. In each mol-ecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51?(8)° in one mol-ecule and 84.70?(8)° in the other. The amino group of each tetra-hydro-pyrimidine-2,4-dione mol-ecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent mol-ecule, the hydrogen bond generating an inversion dimer in each case. The ethanol mol-ecule forms a hydrogen bond to the meth-oxy O atom of one of two independent mol-ecules.

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(3S)-2-Benzyl-3-carb-oxy-1,2,3,4-tetra-hydro-isoquinolinium chloride monohydrate.

Project description:In the title compound, C(17)H(18)NO(2) (+)·Cl(-)·H(2)O, a precursor to novel asymmetric catalysts, the N-containing six-membered ring of the tetra-hydro-quinolinium unit assumes a half-boat conformation. In the crystal, inter-molecular O-H?O, O-H?Cl, N-H?Cl and C-H?O hydrogen bonds and C-H?? inter-actions link the mol-ecules into a three-dimensional network.

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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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