Biomaterial Database

Molecular structure of 1,8-dimethylfluoren-9-one. 1986

O Johnson, and D W Jones

The molecular and crystal structure of the synthetic 1,8-dimethyl derivative of 9H-fluoren-9-one (F-9-one) has been determined by direct methods from X-ray diffractometric data and refined to an R index of 0.035 over 1216 independent reflections. With a mutual inclination between benzene rings of 178.6 degrees, the molecule is closely planar; of the non-hydrogen atoms, only the oxygen is as much as 0.08 A out of the plane defined by the ring-joining carbons C(10), C(11), C(12) and C(13). Neither the carbonyl bond nor the beach bond C(11)-C(12) differs significantly from the corresponding bonds in F-9-one and the 2,7-diamino compound; C-C bonds involving methyl carbons and the keto carbon are all very close to 1.50 A long (e.s.d. 0.003 A). The C-C(methyl) bonds are bent so that angles C(10)-C(1)-C(14) and C(13)-C(8)-C(15) are about 123 degrees, while the methyl groups are orientated with one hydrogen from each pointing away from the carbonyl group.

UI	MeSH Term	Description	Entries
D008433	Mathematics	The deductive study of shape, quantity, and dependence. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 6th ed)	Mathematic
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D008968	Molecular Conformation	The characteristic three-dimensional shape of a molecule.	Molecular Configuration,3D Molecular Structure,Configuration, Molecular,Molecular Structure, Three Dimensional,Three Dimensional Molecular Structure,3D Molecular Structures,Configurations, Molecular,Conformation, Molecular,Conformations, Molecular,Molecular Configurations,Molecular Conformations,Molecular Structure, 3D,Molecular Structures, 3D,Structure, 3D Molecular,Structures, 3D Molecular
D003460	Crystallization	The formation of crystalline substances from solutions or melts. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	Crystalline Polymorphs,Polymorphism, Crystallization,Crystal Growth,Polymorphic Crystals,Crystal, Polymorphic,Crystalline Polymorph,Crystallization Polymorphism,Crystallization Polymorphisms,Crystals, Polymorphic,Growth, Crystal,Polymorph, Crystalline,Polymorphic Crystal,Polymorphisms, Crystallization,Polymorphs, Crystalline
D005449	Fluorenes	A family of diphenylenemethane derivatives.
D014961	X-Ray Diffraction	The scattering of x-rays by matter, especially crystals, with accompanying variation in intensity due to interference effects. Analysis of the crystal structure of materials is performed by passing x-rays through them and registering the diffraction image of the rays (CRYSTALLOGRAPHY, X-RAY). (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	Xray Diffraction,Diffraction, X-Ray,Diffraction, Xray,Diffractions, X-Ray,Diffractions, Xray,X Ray Diffraction,X-Ray Diffractions,Xray Diffractions