Open AccessSynthesis and Crystal Structure of (S)-2-(3-Oxo-1,3- Dihydroisobenzofuran-1-yl)phthalazin-1(2H)-One
Author(s) -
Xi–Shi Tai,
Weixi Xue
Publication year - 2020
Publication title -
iop conference series. earth and environmental science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.179
H-Index - 26
eISSN - 1755-1307
pISSN - 1755-1315
DOI - 10.1088/1755-1315/440/2/022056
Subject(s) - crystal structure , chemistry , materials science , stereochemistry , crystallography
A heterocycle compound, C 16 H 10 N 2 O 3 , has been synthesized by the reaction of hydrazine hydrate, 2-carboxybenzaldehyde and magnesium chloride hexahydrate in CH 3 CH 2 OH-water (v: v= 1: 1) solution. The crystal structure of (S)-2-(3-oxo-1, 3- dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one has been determined by X-ray single crystal diffraction analysis. The result shows that the (S)-2-(3-oxo-1, 3- dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one belongs to triclinic, space group P -1 with a = 7.2049(8) Å, b = 8.0215(9) Å, c = 10.9938(14) Å, a = 81.120(10)°, β = 85.939(10)°, γ =88.934(9)°, V = 626.17(13) Å 3 , Z = 2, Dc = 1.476 mg·m −3 , μ = 0.104 mm −1 , F (000)=288, and final R 1 =0.0935, ωR 2 = 0.1018. The title compound molecules form 3D network structure by the interaction of aza-heterocycle and oxa-heterocycle of (S)-2-(3-oxo-1, 3-dihydroisobenzofuran-1-yl) phthalazin-1(2H)-one molecules.