Crystal structure, Hirshfeld surface and crystal void analysis of (1Z)-1-[(E)-2-(2H-1,3-benzodioxol-5-yl-methyl-idene)hydrazin-1-yl-idene]-1,2-di-hydro-phthalazine

(1Z)-1-[(E)-2-(2H-1,3-苯并二氧杂环戊烯-5-基-亚甲基)肼-1-基-亚甲基]-1,2-二氢酞嗪的晶体结构、Hirshfeld表面和晶体空隙分析

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Abstract

The title com-pound, C(16)H(12)N(4)O(2), crystallizes in the tetra-gonal space group I4(1)/a with one mol-ecule in the asymmetric unit. The 2H-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-di-hydro-phthalazine moiety. An intra-molecular N-H⋯N hy-dro-gen bond stabilizes the mol-ecular conformation. Inter-molecular N-H⋯N hy-dro-gen bonds, as well as C-H⋯N hy-dro-gen bonds, lead to the formation of supra-molecular chains extending parallel to [001]. The inter-molecular inter-actions were qu-anti-fied and analysed using Hirshfeld surface analysis, revealing that H⋯H inter-actions 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.

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