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Volumn 114, Issue 1, 2010, Pages 580-586

Physicochemical understanding of polymorphism and solid-state dehydration/rehydration processes for the pharmaceutical material acrinol, by Ab initio powder X-ray diffraction analysis and other techniques

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ANTIBACTERIAL AGENT; DEHYDRATION PROCESS; DISSOLUTION RATES; HYDRATION PROPERTIES; MECHANISTIC ASPECTS; PHARMACEUTICAL MATERIALS; POLYMORPHIC TRANSFORMATION; POWDER X RAY DIFFRACTION; RELATIVE HUMIDITIES; STRUCTURE SOLUTIONS; THERMODYNAMICALLY STABLE;

EID: 75149145453     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp908636t     Document Type: Article
Times cited : (40)

References (66)
  • 57
    • 75149115322 scopus 로고    scopus 로고
    • note
    • Specifically, the O25 • O25′?distance in the crystal structure of AII is 3.12 Å, suggesting that these two hydroxyl groups are linked by O-H• •O hydrogen bonding. However, there is an inversion centre at the mid-point of O25 • O25′, and therefore an ordered hydrogen-bonding arrangement (i.e., either O25-H46 •O25′?only or O25 •H46′-O25′?only) is not compatible with the crystal symmetry. To resolve this issue, hydrogen atom H46 (and hence also H46′) was given 50% occupancy in the position corresponding to O25-H46• •O25′?hydrogen bonding (and hence with 50% occupancy of O25 • • • H46′-O25′?hydrogen bonding). The remaining 50% occupancy of H46 was in another position in which the O25-H46 bond points towards N19 (the second nearest hydrogen bond acceptor atom to O25, with N19 • O25 distance 3.56 Å).
  • 63
    • 75149146003 scopus 로고    scopus 로고
    • Hilfiker R. (Editor), Wiley-VCH Weinheim (Chapter 2)
    • Lohani, S.; Grant, D. J. W., in Hilfiker, R. (Editor), Polymorphism, Wiley-VCH, Weinheim, 2006 (Chapter 2).
    • (2006) Polymorphism
    • Lohani, S.1    Grant, D.J.W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.