(2S, 3S)-2-(N, N-dibenzylamino) butane-1,3-diol refined using a multipolar atom model

被引：0
|
作者：
Ejsmont, Krzysztof [2 ]
Joly, Jean-Pierre [3 ]
Wenger, Emmanuel [1 ]
Jelsch, Christian [1 ]
机构：
[1] Univ Nancy 1, Fac Sci, CNRS, UMR 7036,Lab Critallog & Modelisat Mat Mineraux &, F-54506 Vandoeuvre Les Nancy, France
[2] Univ Opole, Inst Chem, PL-45052 Opole, Poland
[3] Univ Nancy 1, SRSMC, UMR 7565, F-54506 Vandoeuvre Les Nancy, France
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY | 2008年 / 64卷
关键词：
D O I：
10.1107/S0108270107043296
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The crystal structure of the title compound, C18H23NO2, was determined using the experimental library multipolar atom model. The refinement showed a signicant improvement of crystallographic statistical indices when compared with a conventional spherical neutral atom refinement.
引用
收藏
页码：O18 / O20
页数：3
相关论文
共 50 条
  • [1] Investigation of the configurational stability of lithiated phosphine oxides using the Hoffmann test: X-ray structures of (2S(*),3S(*),4R(*))2-(N,N-dibenzylamino)-4-diphenylphosphinoyl-1-phenylpentan-3-ol and (2S(*),4S(*))-2-(N,N-dibenzylamino)-4-diphenylphinoyl-1-phenylpentan-3-one
    OBrien, P
    Powell, HR
    Raithby, PR
    Warren, S
    JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1997, (07): : 1031 - 1039
  • [2] Preparation of enantiomerically pure α-N,N-dibenzylamino aldehydes:: S-2-(N,N-dibenzylamino)-3-phenylpropanal
    Reetz, MT
    Drewes, MW
    Schwickardi, R
    ORGANIC SYNTHESES, VOL 76 - 1999, 1999, 76 : 110 - 122
  • [3] Synthesis of (2R, 3S)-3-(N,N-dibenzylamino)-1-thiophenylbutan-2-ol
    Sengupta, S
    Sen Sarma, D
    JOURNAL OF THE INDIAN CHEMICAL SOCIETY, 1999, 76 (11-12) : 641 - 642
  • [4] STRUCTURES OF 1-[(2S,3S)-2-(N,N-DIBENZYLAMINO)-3-METHYL-1-PENTYL]PYRIDINIUM P-TOLUENESULFONATE, C25H31N2+.C7H7O3S-, AND 1-[(2S)-2-(N,N-DIBENZYLAMINO)-1-PROPYL]PYRIDINIUM P-TOLUENESULFONATE, C22H25N2+.C7H7O3S-
    RAZENBERG, H
    KANTERS, JA
    SCHOONE, JC
    DUISENBERG, AJM
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1983, 39 (JAN) : 114 - 117
  • [5] Metabolic engineering of Escherichia coli for production of (2S,3S)-butane-2,3-diol from glucose
    Haipei Chu
    Bo Xin
    Peihai Liu
    Yu Wang
    Lixiang Li
    Xiuxiu Liu
    Xuan Zhang
    Cuiqing Ma
    Ping Xu
    Chao Gao
    Biotechnology for Biofuels, 8
  • [6] Metabolic engineering of Escherichia coli for production of (2S,3S)-butane-2,3-diol from glucose
    Chu, Haipei
    Xin, Bo
    Liu, Peihai
    Wang, Yu
    Li, Lixiang
    Liu, Xiuxiu
    Zhang, Xuan
    Ma, Cuiqing
    Xu, Ping
    Gao, Chao
    BIOTECHNOLOGY FOR BIOFUELS, 2015, 8
  • [7] Diastereoselective synthesis of γ-hydroxy-β-amino alcohols and (2S,3S)-β-hydroxyleucine from chiral D-(N,N-dibenzylamino)serine (TBDMS) aldehyde
    Laïb, T
    Chastanet, J
    Zhu, JP
    JOURNAL OF ORGANIC CHEMISTRY, 1998, 63 (05): : 1709 - 1713
  • [8] Regio- and stereoselective lithiation and C-substitution of (S)-2-(Dibenzylamino)-butane-1,4-diol via dicarbamates
    Guarnieri, W
    Sendzik, M
    Fröhlich, R
    Hoppe, D
    SYNTHESIS-STUTTGART, 1998, (09): : 1274 - 1286
  • [9] A New Study on (2S, 3S)-1,4-bis-Sulfanylbutane-2,3-diol
    Toader, Corina
    Baciu, Ion
    Zarafu, Irina
    REVISTA DE CHIMIE, 2009, 60 (09): : 909 - 914
  • [10] Bis(μ-N-benzyl-N-furfuryldithiocarbamato)-1:2κ3S,S′:S′;2:1κ3S,S′:S′-bis[(N-benzyl-N-furfuryldithiocarbamato-κ2S,S′)cadmium]
    Kant, Rajni
    Gupta, Vivek K.
    Kapoor, Kamini
    Valarmathi, P.
    Thirumaran, S.
    ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2012, 68 : M12 - +
12345