Literature DB >> 1445679

Structure of 2,5:3,4-dianhydro-D-altritol.

J G Garcia1, R J Voll, F R Fronczek, E S Younathan.   

Abstract

3,6-Dioxabicyclo[3.1.0]hexane-2,4-dimethanol, C6H10O4, M(r) = 146.1, orthorhombic, P2(1)2(1)2(1), a = 7.6209 (2), b = 9.1292 (3), c = 9.6135 (5) A, V = 668.8 (1) A3, Z = 4, Dx = 1.451 g cm-3, lambda(Mo K alpha) = 0.71073 A, mu = 1.15 cm-1, F(000) = 312, T = 298 K, R = 0.029 for 1280 observations with I greater than 3 sigma(I) (of 1695 unique data). The tetrahydrofuran ring has the envelope conformation, OE, with P of 94.3 degrees and tau m = 24.0 degrees. C atoms deviate from their best plane by +/- 0.0006 (1) to 0.010 (1) A, and the O atom lies 0.331 (1) A from that plane. The epoxide O atom is syn to the tetrahydrofuran O atom. Each hydroxy group is involved in intermolecular hydrogen bonding both as donor and acceptor. The two hydrogen bonds have O...O distances of 2.743 (1) and 2.729 (1) A, and angles about H of 166.3 (12) and 172 (2) degrees, respectively.

Entities:  

Mesh:

Substances:

Year:  1992        PMID: 1445679     DOI: 10.1107/s0108270192001057

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  2 in total

1.  (1R,2R,3R,4R,5S)-2,3-Bis[(2S')-2-acet-oxy-2-phenyl-acet-oxy]-4-azido-1-[(2,4-dinitro-phen-yl)hydrazono-meth-yl]bicyclo-[3.1.0]hexa-ne.

Authors:  Jing Li; Todd L Lowary; Robert McDonald
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2008-01-16

2.  2-(Methoxy-meth-oxy)-1-(4-oxobicyclo-[3.1.0]hexan-1-yl)ethyl 4-nitro-benzoate.

Authors:  Jing Li; Todd L Lowary; Michael J Ferguson
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2007-12-21
  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.