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A second polymorph of 2,4,6-tris-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine.

ABSTRACT: The mol-ecule of the title compound, C(18)H(21)N(9), is nearly planar, with the three pyrazole rings aligned at 2.40?(5), 9.27?(5) and 9.71?(5)° with respect to the triazine ring. The triazine ring is planar (r.m.s. deviation = 0.005?Å), the distortion from a hexa-gonal arrangement arising from the angles at the N [112.4?(1)-113.1?(1)°] and C [127.1?(1)-127.6?(1)°] atoms deviating from 120°. The crystal studied was an inversion twin.

SUBMITTER: Ng SW

PROVIDER: S-EPMC3515290 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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A second polymorph of 2,4,6-tris-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3,5-triazine.

Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20121024 Pt 11

The mol-ecule of the title compound, C(18)H(21)N(9), is nearly planar, with the three pyrazole rings aligned at 2.40 (5), 9.27 (5) and 9.71 (5)° with respect to the triazine ring. The triazine ring is planar (r.m.s. deviation = 0.005 Å), the distortion from a hexa-gonal arrangement arising from the angles at the N [112.4 (1)-113.1 (1)°] and C [127.1 (1)-127.6 (1)°] atoms deviating from 120°. The crystal studied was an inversion twin. ...[more]

PMID: 23284510

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