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

Goodman MA, Goodman MS, Nazarenko AY, Patel EN - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: 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).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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Affiliation: Chemistry Department, D'Youville College, 320 Porter Avenue, Buffalo, NY 14201, USA.

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.

No MeSH data available.


The molecular structure of the title compound. Displacement elipsoids are drawn at the 50% probability level. Disorder of H atoms bonded to C5 are omitted for clarity.
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Fap1: The molecular structure of the title compound. Displacement elipsoids are drawn at the 50% probability level. Disorder of H atoms bonded to C5 are omitted for clarity.


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

Goodman MA, Goodman MS, Nazarenko AY, Patel EN - Acta Crystallogr E Crystallogr Commun (2015)

The molecular structure of the title compound. Displacement elipsoids are drawn at the 50% probability level. Disorder of H atoms bonded to C5 are omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4645007&req=5

Fap1: The molecular structure of the title compound. Displacement elipsoids are drawn at the 50% probability level. Disorder of H atoms bonded to C5 are omitted for clarity.
Bottom Line: 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).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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Chemistry Department, D'Youville College, 320 Porter Avenue, Buffalo, NY 14201, USA.

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.

No MeSH data available.