beta-Carboline (norharman)

Robert J. Thatcher; Richard E. Douthwaite

doi:10.1107/S0108270111021706

beta-Carboline (norharman)

Robert J. Thatcher, Richard E. Douthwaite

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

The structure of beta-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C11H8N2, has been determined at 110 K. Norharman is prevalent in the environment and the human body and is of wide biological interest. The structure exhibits intermolecular N-H center dot center dot center dot N hydrogen bonding, which results in a one-dimensional herringbone motif. The three rings of the norharman molecule collectively result in a C-shaped curvature of 3.19 (13)degrees parallel to the long axis. The diffraction data show shorter pyridyl C-C bonds than those reported at the STO-3G level of theory.

Original language	English
Pages (from-to)	O241-O243
Number of pages	3
Journal	ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
Volume	67
Issue number	7
DOIs	https://doi.org/10.1107/S0108270111021706
Publication status	Published - Jul 2011

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title = "beta-Carboline (norharman)",

abstract = "The structure of beta-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C11H8N2, has been determined at 110 K. Norharman is prevalent in the environment and the human body and is of wide biological interest. The structure exhibits intermolecular N-H center dot center dot center dot N hydrogen bonding, which results in a one-dimensional herringbone motif. The three rings of the norharman molecule collectively result in a C-shaped curvature of 3.19 (13)degrees parallel to the long axis. The diffraction data show shorter pyridyl C-C bonds than those reported at the STO-3G level of theory.",

author = "Thatcher, {Robert J.} and Douthwaite, {Richard E.}",

year = "2011",

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pages = "O241--O243",

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publisher = "International Union of Crystallography",

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AU - Thatcher, Robert J.

AU - Douthwaite, Richard E.

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N2 - The structure of beta-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C11H8N2, has been determined at 110 K. Norharman is prevalent in the environment and the human body and is of wide biological interest. The structure exhibits intermolecular N-H center dot center dot center dot N hydrogen bonding, which results in a one-dimensional herringbone motif. The three rings of the norharman molecule collectively result in a C-shaped curvature of 3.19 (13)degrees parallel to the long axis. The diffraction data show shorter pyridyl C-C bonds than those reported at the STO-3G level of theory.

AB - The structure of beta-carboline, also called norharman (systematic name: 9H-pyrido[3,4-b]indole), C11H8N2, has been determined at 110 K. Norharman is prevalent in the environment and the human body and is of wide biological interest. The structure exhibits intermolecular N-H center dot center dot center dot N hydrogen bonding, which results in a one-dimensional herringbone motif. The three rings of the norharman molecule collectively result in a C-shaped curvature of 3.19 (13)degrees parallel to the long axis. The diffraction data show shorter pyridyl C-C bonds than those reported at the STO-3G level of theory.

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DO - 10.1107/S0108270111021706

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VL - 67

SP - O241-O243

JO - ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

JF - ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS

IS - 7

ER -

beta-Carboline (norharman)

Abstract

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