title: Powder X-ray study of racemic (2RS,3RS)-5-amino-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2,3,4-tetrahydronaphthalen-2-ol.
abstract: The structure of the title benzovesamicol analogue, C(21)H(27)N(3)O(2), an important compound for the diagnosis of Alzheimer's disease, has been determined by X-ray powder diffraction. The title compound was firstly synthesized and characterized by spectroscopic methods (FT-IR, and (13)C and (1)H NMR). The compound is a racemic mixture of enantiomers which crystallizes in the monoclinic system in a centrosymmetric space group (P2(1)/c). Crystallography, in particular powder X-ray diffraction, was pivotal in revealing that the enantio-resolution did not succeed. The piperazine ring is in a chair conformation, while the cyclohexene ring assumes a half-chair conformation. The crystal packing is dominated by intermolecular O-H···N hydrogen bonding which links molecules along the c direction.
authors: Department of Chemistry, Atomic Energy Commission of Syria, Damascus, Syrian Arab Republic.
authors: Thaer
authors: T
authors: Assaad
authors: Mwaffak
authors: M
authors: Rukiah
mesh_terms: D018360:Crystallography, X-Ray; D053138:Cyclohexenes / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy; D008968:Molecular Conformation; D015394:Molecular Structure; D010795:Phthalic Acids / Q000737:chemistry*; D010879:Piperazines / Q000737:chemistry*; D013237:Stereoisomerism; D014961:X-Ray Diffraction
chemical_list: C569736:(2RS,3RS)-5-amino-3-(4-(3-methoxyphenyl)piperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-ol; D053138:Cyclohexenes; D010795:Phthalic Acids; D010879:Piperazines