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5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde. | LitMetric

5-Chloro-1,3-dimethyl-1H-pyrazole-4-carbaldehyde.

Acta Crystallogr Sect E Struct Rep Online

Published: November 2011

AI Article Synopsis

  • The compound C(6)H(7)ClN(2)O features molecules that are positioned symmetrically on mirror planes, affecting the arrangement of hydrogen atoms.
  • The hydrogen atoms in the two methyl groups are treated as being in different orientations due to rotational disorder.
  • The crystal structure shows weak interactions between molecules, specifically C-H⋯O interactions and close contacts between chlorine and nitrogen atoms measuring 3.046 Å.

Article Abstract

In the title compound, C(6)H(7)ClN(2)O, the mol-ecules are situated on mirror planes, so H atoms of two methyl groups were treated as rotationally disordered over two orientations each. The crystal packing exhibits weak inter-molecular C-H⋯O inter-actions and short Cl⋯N contacts of 3.046 (2) Å.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247348PMC
http://dx.doi.org/10.1107/S1600536811041407DOI Listing

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