Crystal structure and Hirshfeld surface analysis of 5-[(5-nitro-1H-indazol-1-yl)methyl]-3-phenyl-4,5- dihydroisoxazole.

Autor: Boulhaoua, Mohammed, Kansiz, Sevgi, Hafi, Mohamed El, Lahmidi, Sanae, Dege, Necmi, Benchidmi, Mohammed, Mague, Joel T.
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Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Jan2019, Vol. 75 Issue 1, Following p71-74, 9p
Abstrakt: In the title compound, C17H14N4O3, the indazole unit is planar to within 0.0171 (10) Å and makes dihedral angles of 6.50 (6) and 6.79 (4)°, respectively, with the nitro and pendant phenyl groups. The conformation of the oxazole ring is best described as an envelope. In the crystal, oblique stacks along the a-axis direction are formed by π–π stacking interactions between the indazole unit and the pendant phenyl rings of adjacent mol­ecules. The stacks are linked into pairs through C—H...O hydrogen bonds. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H...H (36.3%), O...H/H...O (23.4%), C...H/H...C (13.4%) and N...H/H...N (11.4%) inter­actions. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index