Crystal Structure and Hirshfeld Surface Analysis of Trimethoxy(1‐naphthyl)silane – Intermolecular Interactions in a One‐Component Single‐Crystalline Trimethoxysilane

Abstract Weak intermolecular interactions play a major role in structure formation of molecular crystals. Trimethoxy(1‐naphthyl)silane ( 1 ), the first one‐component single‐crystalline trimethoxysilane, was analyzed by single‐crystal X‐ray diffraction. Weak intermolecular interactions were studied by Hirshfeld surface analysis along with 2D fingerprint plots. Both C(methyl)−H⋅⋅⋅C and C(naphthyl)−H⋅⋅⋅C interactions were found. A C(naphthyl)−H⋅⋅⋅O hydrogen bond between a silicon‐bound methoxy oxygen and an aromatic hydrogen atom was identified to be a crucial structure‐forming interaction within the crystal packing. Therefore, the tendency of molecular aryl‐substituted methoxysilanes to crystallize seems to be mainly dependent on the balance between accessible C−H⋅⋅⋅O hydrogen bonds and C−H⋅⋅⋅π interactions.