Crystal structure and Hirshfeld surface analysis of (Z)-3-methyl-4-(thio­phen-2-yl­methyl­idene)isoxazol-5(4H)-one

2021 
The title compound, C9H7NO2S crystallizes with two independent mol­ecules (A and B) in the asymmetric unit with Z = 8. Both mol­ecules are almost planar with a dihedral angle between the isoxazole and thio­phen rings of 3.67 (2)° in mol­ecule A and 10.00 (1) ° in mol­ecule B. The packing of mol­ecules A and B is of an ABAB⋯ type along the b-axis direction, the configuration about the C=C bond is Z. In the crystal, the presence of C—H⋯O, C—H⋯ N and π–π inter­actions [centroid–centroid distances of 3.701 (2) and 3.766 (2) A] link the mol­ecules into a three-dimensional architecture. An analysis of Hirshfeld surfaces shows the importance of C—H⋯O and C—H⋯N hydrogen bonds in the packing mechanism of the crystalline structure.
    • Correction
    • Source
    • Cite
    • Save
    • Machine Reading By IdeaReader
    17
    References
    0
    Citations
    NaN
    KQI
    []