Crystal structure, Hirshfeld surface and crystal void analysis of (1 Z )-1-[( E )-2-(2 H -1,3-benzodioxol-5-ylmethylidene)hydrazin-1-ylidene]-1,2-dihydrophthalazine
Year: 2026
Type: article
Abstract: The title compound, C 16 H 12 N 4 O 2 , crystallizes in the tetragonal space group I 4 1 / a with one molecule in the asymmetric unit. The 2 H -1,3-benzodioxole ring is almost planar [maximum deviation of −0.039 (3) Å] and makes a dihedral angle of 11.25 (5)° with the 1,2-dihydrophthalazine moiety. An intramolecular N—H...N hydrogen bond stabilizes the molecular conformation. Intermolecular N—H...N hydrogen bonds, as well as C—H...N hydrogen bonds, lead to the formation of supramolecular chains extending parallel to [001]. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, revealing that H...H interactions contribute most to the crystal packing (37.4%). The volume of the crystal voids and the percentage of free space were calculated to be 614.55 Å 3 and 11.5%, respectively.
Institution: Annamalai University
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W7125592070
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