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Redetermination of 3-methyl-isoquinoline at 150?K.

ABSTRACT: The structure of the title compound, C(19)H(9)O, has been redetermined at 150?K. The redetermination is of significantly higher precision than a previous room-temperature structure [Ribar et al. (1974 ?). Cryst. Struct. Commun.3, 323-325]. The C-N bond lengths for this redetermination are much closer to those observed in comparable structures, and the orientation of the methyl group with respect to the isoquinoline plane is clarified. Inter-molecular weak C-H?N contacts are present in the crystal.

SUBMITTER: Bond AD

PROVIDER: S-EPMC3009354 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Redetermination of 3-methyl-isoquinoline at 150 K.

Bond Andrew D AD

Acta crystallographica. Section E, Structure reports online 20101009 Pt 11

The structure of the title compound, C(19)H(9)O, has been redetermined at 150 K. The redetermination is of significantly higher precision than a previous room-temperature structure [Ribar et al. (1974 ▶). Cryst. Struct. Commun.3, 323-325]. The C-N bond lengths for this redetermination are much closer to those observed in comparable structures, and the orientation of the methyl group with respect to the isoquinoline plane is clarified. Inter-molecular weak C-H⋯N contacts are present in the crysta ...[more]

PMID: 21588970

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