메뉴 건너뛰기




Volumn 7, Issue 3, 2007, Pages 476-480

Stable polymorph of venlafaxine hydrochloride by solid-to-solid phase transition at high temperature

Author keywords

[No Author keywords available]

Indexed keywords


EID: 33947527460     PISSN: 15287483     EISSN: None     Source Type: Journal    
DOI: 10.1021/cg0607699     Document Type: Article
Times cited : (38)

References (43)
  • 19
    • 33947529577 scopus 로고    scopus 로고
    • Sivalakshmidevi, A.; Vyas, K.; Rao, S. M.; Reddy. G. O. Acta Crystallogr. 2002. E58, o1072.
    • (b) Sivalakshmidevi, A.; Vyas, K.; Rao, S. M.; Reddy. G. O. Acta Crystallogr. 2002. E58, o1072.
  • 20
    • 27744459901 scopus 로고    scopus 로고
    • For an overview of the VenHCl, polymorph literature, their numbering as forms 1 -4, the characterization of sublimation form 5, and crystallization of polymorphs 1 and 2 for use in this study, see Roy, S.; Aitipamula, S.; Nangia, A. Cryst. Growth Des. 2005, 5, 2268.
    • For an overview of the VenHCl, polymorph literature, their numbering as forms 1 -4, the characterization of sublimation form 5, and crystallization of polymorphs 1 and 2 for use in this study, see Roy, S.; Aitipamula, S.; Nangia, A. Cryst. Growth Des. 2005, 5, 2268.
  • 21
    • 33947498265 scopus 로고    scopus 로고
    • Downloaded from the PriorArt Database
    • Downloaded from the PriorArt Database. http://www.priorartdata-base.com/ IPCOM/000029066.
  • 22
    • 33947546096 scopus 로고    scopus 로고
    • Crystal data: Form 6, C17H28NO2 +Cl, Mr 313.85, monoclinic,P21/n, T= 100(2) K, a, 5.887(10) Å b= 19.37(3) Å, c, 31.41(5) Å, β, 92.16(3)°, Z′, 2, Z, 8, V, 3579(10) Å3, μ (Mo-Kα) 0.218 mm-1, ρcalc, 1.165 g cm -3, R1,(I > 2σ(I, 0.1073. X-ray reflections were collected on Bruker SMART-APEX CCD diffrac-tometer (Mo-Kα radiation, λ, 0.71073 Å) with 10 s exposure time. Structures were solved and refined on F2 in SHELX-TL. H atoms were refined isotropically. The reported crystal structure data is the best solution we could derive from multiple experiments. Crystal data on polymorphs 1 and 2 are taken from the Cambridge Structural Database, CSD refcodes WO
    • 1(I > 2σ(I)) = 0. 068.
  • 23
    • 33947492237 scopus 로고    scopus 로고
    • Geometry optimization was carried out using density functional theory (DFT) at the B3LYP/6-31.G (d,p) level in Gaussian 03, Revision B.05. http://www.gaussian.com.
    • Geometry optimization was carried out using density functional theory (DFT) at the B3LYP/6-31.G (d,p) level in Gaussian 03, Revision B.05. http://www.gaussian.com.
  • 26
    • 33947515797 scopus 로고    scopus 로고
    • α radiation (λ = 1.54056 Å) with the generator power set at 40 kV and 40 mA. The sample was heated @ 10° min-1 and intensities were collected at regular T intervals in the 2θ range 5-50°. Full details of the VT-PXRD experiment are described in ref 13b.
    • α radiation (λ = 1.54056 Å) with the generator power set at 40 kV and 40 mA. The sample was heated @ 10° min-1 and intensities were collected at regular T intervals in the 2θ range 5-50°. Full details of the VT-PXRD experiment are described in ref 13b.
  • 28
    • 33947500574 scopus 로고    scopus 로고
    • Simulation of the powder diffraction from the crystal structure and least-squares refinement of the experimental pattern was done in Powder Cell 2.3 ref 14b, The unit cell parameters were scaled to correct for the higher temperature of PXRD compared to single-crystal XRD measurement. The slight differences in peak intensity are due to the preferred orientation of the microcrystalline sample
    • (a) Simulation of the powder diffraction from the crystal structure and least-squares refinement of the experimental pattern was done in Powder Cell 2.3 (ref 14b). The unit cell parameters were scaled to correct for the higher temperature of PXRD compared to single-crystal XRD measurement. The slight differences in peak intensity are due to the preferred orientation of the microcrystalline sample,
  • 40
    • 0004156518 scopus 로고
    • Desiraju, G. R, Ed, Elsevier: Amsterdam
    • Bernstein, J. in Organic Solid State Chemistry; Desiraju, G. R., Ed.; Elsevier: Amsterdam, 1987; pp 471-518.
    • (1987) Organic Solid State Chemistry , pp. 471-518
    • Bernstein, J.1
  • 41
    • 30344486863 scopus 로고    scopus 로고
    • Day, G. M.; Motherwell, W. D. S.; Ammon, H.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuta, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B, P.; Erk, P.; Facelli, J. C; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C; Pantelides, C. C; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. Acta Crystallogr. 2005, B61, 511.
    • Day, G. M.; Motherwell, W. D. S.; Ammon, H.; Boerrigter, S. X. M.; Della Valle, R. G.; Venuta, E.; Dzyabchenko, A.; Dunitz, J. D.; Schweizer, B.; van Eijck, B, P.; Erk, P.; Facelli, J. C; Bazterra, V. E.; Ferraro, M. B.; Hofmann, D. W. M.; Leusen, F. J. J.; Liang, C; Pantelides, C. C; Karamertzanis, P. G.; Price, S. L.; Lewis, T. C; Nowell, H.; Torrisi, A.; Scheraga, H. A.; Arnautova, Y. A.; Schmidt, M. U.; Verwer, P. Acta Crystallogr. 2005, B61, 511.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.