X-ray analysis of 2-aniline benzo(2,3-�?) cyclopentane-1,3-dione

[摘要] The molecular and crystal structure of 2-aniline benzo(2,3-ð‘�?) cyclopentane-1,3-dione has been determined by X-ray crystallographic techniques. This compound crystallizes in the orthorhombic space group ð‘�?2₁2₁2₁ with unit cell parameters: ð‘�? = 5.467(1), ð‘�? = 10.657(3), ð‘�? = 19.602(6) Ã�?; ð‘�?? = 1142.01(5) Ã�?³, ð‘�? = 4. The crystal structure has been resolved up to an ð‘�??-factor 0.050 for 1129 reflections. All the three rings in the structure are planar. However, the dihedral angle between the phenyl ring and the moiety comprising of a five-membered and six-membered ring is 92.4°. The oxygen atom O1 acts as a trifurcated acceptor and is involved in the formation of three intermolecular interactions.

[学科分类] 材料工程

[关键词] Crystal structure;molecular interactions;X-ray diffraction;X-ray diffractometer;trifurcated acceptor.