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

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

Acta Crystallogr E Crystallogr Commun

Chemistry Department, SUNY Buffalo State, 1300 Elmwood Ave, Buffalo, NY 14222, USA.

Published: November 2015

AI Article Synopsis

Article 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.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645007PMC
http://dx.doi.org/10.1107/S2056989015017247DOI Listing

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