A second orthorhombic polymorph of 4-{[(1 <i>E</i> ,2 <i>E</i> )-3-(4-methoxyphenyl)prop-2-en-1-ylidene]amino}-1,5-dimethyl-2-phenyl-1 <i>H</i> -pyrazol-3(2 <i>H</i> )-one
The second ortho-rhom-bic polymorph of the title compound, C<sub>21</sub>H<sub>21</sub>N<sub>3</sub>O<sub>2</sub>, (<b>I</b>), crystallizes in space group <i>Pna</i>2<sub>1</sub>, compared to <i>Pbca</i> for the first ortho-rhom-bic polymorph (<b>I<sup>i</sup></b> ) [Obasi <i>et al.</i> (2016 ▸). <i>J. Mol. Struct</i>. <b>1120</b>, 180-186]. The difference in the structure of the two polymorphs resides in the orientation of the 4-meth-oxy moiety of the (4-meth-oxy-phen-yl)allyl-idene unit with respect to the phenyl ring to which it is attached. Compound (<b>I</b>) also exhibits rotational disorder of the phenyl ring of the 4-amino-anti-pyrine moiety. In the crystal of (<b>I</b>), the mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds, forming a three-dimensional network. The conformations, Hirshfeld surfaces, and two-dimensional fingerprint plots of the two polymorphs and closely related structures are compared.
Authors
- M. G. Shankar
- Aurélien Crochet
- A. Subashini
- R. Kumaravel
- K. Ramamurthi
- Helen Stoeckli-Evans
- T. C. Sabari Girisun
Institutions
- University of Fribourg (CH)
- Anna University, Chennai (IN)
- Bharathidasan University (IN)
- University of Neuchâtel (CH)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2026-02-03
- DOI
- https://doi.org/10.1107/s2056989026001039
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00