title: Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III.
abstract: Three crystal forms of acetaminophen were prepared and characterized using a newly developed high-throughput crystallization platform, CrystalMax. The platform consists of design software, robotic sample dispensing and handling, and high-throughput microanalytics and is capable of running thousands of crystallizations in parallel using several different methods to drive supersaturation and subsequent crystallization. Additionally, structural models of the elusive third form of acetaminophen will be discussed on the basis of powder X-ray diffraction data. One structure suggested has a bilayer motif, held together by O-H...O(H) hydrogen bonds, and helps explain the difficulty associated with preparing this form from solution.
authors.affiliation: TransForm Pharmaceuticals, Inc., 610 Lincoln Street, Waltham, Massachusetts 02451, USA.
authors.forename: Matthew L
authors.initials: ML
authors.lastname: Peterson
authors.forename: Sherry L
authors.initials: SL
authors.lastname: Morissette
authors.forename: Chris
authors.initials: C
authors.lastname: McNulty
authors.forename: Andrew
authors.initials: A
authors.lastname: Goldsweig
authors.forename: Paul
authors.initials: P
authors.lastname: Shaw
authors.forename: Martin
authors.initials: M
authors.lastname: LeQuesne
authors.forename: Julie
authors.initials: J
authors.lastname: Monagle
authors.forename: Nicolas
authors.initials: N
authors.lastname: Encina
authors.forename: Joseph
authors.initials: J
authors.lastname: Marchionna
authors.forename: Alasdair
authors.initials: A
authors.lastname: Johnson
authors.forename: Javier
authors.initials: J
authors.lastname: Gonzalez-Zugasti
authors.forename: Anthony V
authors.initials: AV
authors.lastname: Lemmo
authors.forename: Stephen J
authors.initials: SJ
authors.lastname: Ellis
authors.forename: Michael J
authors.initials: MJ
authors.lastname: Cima
authors.forename: Orn
authors.initials: O
authors.lastname: Almarsson
mesh_terms: D000082:Acetaminophen / Q000737:chemistry*; D018712:Analgesics, Non-Narcotic / Q000737:chemistry*; D003460:Crystallization; D014961:X-Ray Diffraction
chemical_list: D018712:Analgesics, Non-Narcotic; D000082:Acetaminophen