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Crystal and molecular structure of 6-nitro-1,3-benzdioxin: Comparison with the molecular structures of the 2,4-bis(dichloromethyl) and 2,4-bis(trichloromethyl) derivatives

 

作者: AnneIrving,   HarryM.N.H.Irving,  

 

期刊: Journal of Crystallographic and Spectroscopic Research  (Springer Available online 2005)
卷期: Volume 18, issue 2  

页码: 189-196

 

ISSN:0277-8068

 

年代: 2005

 

DOI:10.1007/BF01181910

 

出版商: Springer_US-Boston

 

数据来源: Springer

 

摘要:

6-Nitro-1,3-benzdioxin is orthorhombic,Pbca,a=7.278(4),b=19.292(3),c=10.978(1) Å,Z=8. The structure was solved by direct methods from data collected at room temperature on an Enraf-Nonius CAD4 diffractometer and refined by least squares to a finalRvalue of 0.041 using 725 reflections. Some parameters associated with the heterocycle are torsion angle (CAr)O-C-O-C(CAr) 69.1(4)°; bond lengths CAr-O 1.362(3), (CAr)O-C 1.434(5), (CAr.O)C-O 1.377(5), O-C(CAr) 1.431(5), C-CAr1.501(5) Å; bond angles CAr-O-C 113.5(3), O-C-O 111.5(3), C-O-C(CAr) 110.3(3), O-C-CAr109.9(3)°;Hax⋯Hax2.52

 

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