Abstract
The title molecule, C27H31NO7, an imine derivative bearing both carbonate and allyl functionalities, was synthesized in the hope of obtaining a mesogenic polymerizable material. The allylcarbonate arms are fully disordered over two sets of sites, reflecting a large degree of rotational freedom about σ bonds [occupancies: 0.665 (9)/0.335 (9) for one substituent, 0.564 (9)/0.436 (9) for the other]. In contrast, the hexyl chain is ordered, and presents the common all-trans extended conformation. The benzene rings connected via the imine group make a dihedral angle of 9.64 (11)°. In the crystal, the Y-shaped molecules are weakly associated into centrosymmetric dimers through pairs of C—H⋯O(hexyl) contacts. The resulting layers of dimers, approximately parallel to (25), are closely packed in the crystal, allowing π⋯π interactions between benzene rings of neighboring layers: the separation between the centroid of the benzene ring substituted by allylcarbonate and the centroid of the benzene ring bearing the hexyloxy group in the adjacent layer is 3.895 (1) Å.
Highlights
The title molecule, C27H31NO7, an imine derivative bearing both carbonate and allyl functionalities, was synthesized in the hope of obtaining a mesogenic polymerizable material
The allylcarbonate arms are fully disordered over two sets of sites, reflecting a large degree of rotational freedom about bonds
The benzene rings connected via the imine group make a dihedral angle of 9.64 (11)
Summary
Centro de Investigaciones en Materiales y Metalurgia, Universidad Autónoma del estado de Hidalgo, Carretera Pachuca Tulancingo Km 4.5, 42184 Mineral de la Reforma, Hgo., Mexico, bFacultad de Ciencias Quımicas, Universidad Autónoma de Puebla, Boulevard 14 Sur, Col. San Manuel, 72570 Puebla, Pue., Mexico, and cDEP. Facultad de Ciencias Quımicas, UANL, Guerrero y Progreso S/N, Col. Treviño, 64570 Monterrey, N.L., Mexico. The Y-shaped molecules are weakly associated into centrosymmetric dimers through pairs of C—H O(hexyl) contacts. The resulting layers of dimers, approximately parallel to (225), are closely packed in the crystal, allowing interactions between benzene rings of neighboring layers: the separation between the centroid of the benzene ring substituted by allylcarbonate and the centroid of the benzene ring bearing the hexyloxy group in the adjacent layer is 3.895 (1) Å
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