STRUCTURE OF (R)-(3-HYDROXY-2,3-DIMETHYLBUTYL)TRIPHENYLPHOSPHONIUM IODIDE N-HYDRATE (N-CONGRUENT-TO-1.3)

被引:5
|
作者
VANDERSLUIS, P [1 ]
SPEK, AL [1 ]
机构
[1] STATE UNIV UTRECHT,KRISTAL & STRUCT CHEM LAB,TRANSITORIUM 3,PADUALAAN 8,3584 CH UTRECHT,NETHERLANDS
关键词
D O I
10.1107/S0108270190004140
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
C24H28OP+.I-.nH2O (n congruent-to 1.3), M(r) = 513.78, monoclinic, P2(1), a = 9.044 (1), b = 14.173 (1), c = 10.441 (1) angstrom, beta = 115.23 (1)-degrees, V = 1210.7 (2) angstrom 3, Z = 2, D(x) = 1.409 g cm-3, lambda(Mo K-alpha) = 0.71073 angstrom, mu = 13.9 cm-1, F(000) = 522, T = 295 K, R = 0.018 for 2854 unique observed diffractometer data [I greater-than-or-equal-to 2.5-sigma-(I)]. The absolute configuration at the chiral centre is retained during the four-step synthesis of the title compound from (S)-methyl 3-hydroxy-2-methylpropanoate. The structure contains an infinite hydrogen-bond chain in the a direction involving I, H2O and the hydroxyl group.
引用
收藏
页码:2429 / 2431
页数:3
相关论文
共 50 条
  • [31] STRUCTURE OF 3-BENZYL-2-(3-HYDROXY-2-PYRIDYLIMINO)-4-METHYL-2,3-DIHYDRO-1,3-THIAZOLE, C16H15N3OS
    ANGELOVA, O
    MACICEK, J
    KALCHEVA, V
    TOSHEVA, M
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1993, 49 : 2167 - 2169
  • [32] Design and synthesis of a series of (2R)-N4-hydroxy-2-(3-hydroxybenzyl)-N1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide derivatives as potent, selective, and orally bioavailable aggrecanase inhibitors
    Yao, WQ
    Wasserman, ZR
    Chao, M
    Reddy, G
    Shi, E
    Liu, RQ
    Covington, MB
    Arner, EC
    Pratta, MA
    Tortorella, M
    Magolda, RL
    Newton, R
    Qian, MX
    Ribadeneira, MD
    Christ, D
    Wexler, RR
    Decicco, CP
    JOURNAL OF MEDICINAL CHEMISTRY, 2001, 44 (21) : 3347 - 3350
  • [33] Crystal structure of (-)-N-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl]-N-methyl-ethansulfonamide hydrate, (CN)C9OH5(CH3)2(OH)N(CH3)SO2C2H5 • 0.34H2O
    Paulus, EF
    Burgard, A
    Lang, HJ
    Gerlach, U
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2002, 217 (01): : 139 - 140
  • [34] Stereoselective synthesis and structure-activity relationship of novel ceramide trafficking inhibitors.: (1R,3R)-N-(3-hydroxy-1-hydroxymethyl-3-phenylpropyl)dodecanamide and its analogues
    Nakamura, Y
    Matsubara, R
    Kitagawa, H
    Kobayashi, S
    Kumagai, K
    Yasuda, S
    Hanada, K
    JOURNAL OF MEDICINAL CHEMISTRY, 2003, 46 (17) : 3688 - 3695
  • [35] The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\propanediamide hydrate, C25H26N6O4, 2(H2O)
    Smith, Mark G.
    Lemmerer, Andreas
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2024, 239 (02): : 241 - 243
  • [36] Crystal structure of catena-poly[diaqua(μ3-pyrazine-2,3-dicarboxylato-κ4O,N:O′:O")zinc(II)] 1.25 hydrate, C6H8.5N2O7.25Zn
    Deng Linxin
    Li Song
    Li Xingyu
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2018, 233 (01): : 21 - 22
  • [37] THE STRUCTURE OF 6-[1-(R,S)-HYDROXY-2-ISOPROPYLAMINOETHYL] 2,3-DIHYDRO-1,3-BENZOXAZOLE-2-ONE CHLORHYDRATE, C12H16N2O3.HCL
    MAIRESSE, G
    BOIVIN, JC
    THOMAS, DJ
    BONTE, JP
    LESIEUR, D
    LESPAGNOL, C
    ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, 1984, 40 (AUG) : 1432 - 1434
  • [38] 4-HYDROXY-2-QUINOLONES. 177*. STUDY OF A STRUCTURE-DIURETIC ACTIVITY RELATIONSHIP IN A SERIES OF 4-HYDROXY-2-OXO-1,2-DIHYDROQUINOLINE-3-CARBOXYLIC ACID N-R-AMIDES
    Ukrainets, I. V.
    Bereznyakova, N. L.
    Grinevich, L. A.
    Kuz'min, V. E.
    Artemenko, A. G.
    CHEMISTRY OF HETEROCYCLIC COMPOUNDS, 2010, 46 (06) : 699 - 710
  • [39] 4-Hydroxy-2-quinolones. 177*. Study of a structure-diuretic activity relationship in a series of 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid N-R-amides
    I. V. Ukrainets
    N. L. Bereznyakova
    L. A. Grinevich
    V. E. Kuz’min
    A. G. Artemenko
    Chemistry of Heterocyclic Compounds, 2010, 46 : 699 - 710
  • [40] Crystal, molecular and electron structure of (2R, 3R, 4aS, 5S, 7R, 10aS, 10bS)-5-ethyl-2,3-dimethoxy-2,3,7-trimethyl-decahydro-2H-[1,4] dioxino [2,3-g]indolizin-7-ium iodide hydrate
    Viktor, Vrabel
    Julius, Sivy
    Peter, Safar
    ACTA CHIMICA SLOVACA, 2013, 6 (02): : 173 - 176