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Crystal structure of tris-(3-methyl-1H-pyrazol-1-yl)methane.

ABSTRACT: The title mol-ecule, C13H16N6, crystallizes from hexane as a mol-ecular crystal with no strong inter-molecular inter-actions (the shortest C-H?N contact is longer than 3.38?Å). A relatively short intra-molecular contact (3.09?Å) has a C-H?N angle of 118° which is quite small to be still considered a hydrogen bond. The three pyrazole rings form a propeller-like motif, with one methylpyrazole unit almost perpendicular to the mean plane of the three rings [82.20?(6)°]. The other two methylpyrazole units, with nitrogen donor atoms oriented in opposite directions, are oriented at 67.26?(6) and 72.53?(6)° to the mean plane.

SUBMITTER: Goodman MA

PROVIDER: S-EPMC4645007 | biostudies-other | 2015 Nov

REPOSITORIES: biostudies-other

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Crystal structure of tris-(3-methyl-1H-pyrazol-1-yl)methane.

Goodman Margaret A MA Goodman M Scott MS Nazarenko Alexander Y AY Patel Ealin N EN

Acta crystallographica. Section E, Crystallographic communications 20151003 Pt 11

The title mol-ecule, C13H16N6, crystallizes from hexane as a mol-ecular crystal with no strong inter-molecular inter-actions (the shortest C-H⋯N contact is longer than 3.38 Å). A relatively short intra-molecular contact (3.09 Å) has a C-H⋯N angle of 118° which is quite small to be still considered a hydrogen bond. The three pyrazole rings form a propeller-like motif, with one methylpyrazole unit almost perpendicular to the mean plane of the three rings [82.20 (6)°]. The other two methylpyrazole ...[more]

PMID: 26594542

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