title: The crystal structure of KR-21042, an analgesic capsaicinoid.
abstract: The crystal structure of KR-21042, N-(3-Phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide, was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from a mixture of ethylacetate and n-hexane in monoclinic, space group P21/c, with a = 16.622(1), b = 6.215(1), c = 15.802(1) A, P= 104.97(1), and Z = 4. The calculated density is 1.261 g/cm3. The structure was solved by the direct method and refined by full matrix least-squares procedure to the final R value of 0.068 for 2332 observed reflections.
authors.affiliation: Korea Research Institute of Chemical Technology, Taejon.
authors.forename: No Sang
authors.initials: NS
authors.lastname: Park
authors.forename: Yang Bae
authors.initials: YB
authors.lastname: Kim
authors.forename: Eun Ju
authors.initials: EJ
authors.lastname: Jeong
authors.forename: Uoo Tae
authors.initials: UT
authors.lastname: Chung
authors.forename: I I Yeong
authors.initials: II
authors.lastname: Park
mesh_terms: D000700:Analgesics / Q000737:chemistry*; D002211:Capsaicin / Q000031:analogs & derivatives* / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D013329:Structure-Activity Relationship
chemical_list: D000700:Analgesics; C464533:N-(3-phenylpropyl)-4-hydroxy-3-methoxyphenylacetamide; D002211:Capsaicin