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2-碘苯磺酸钠一水合物

Sodium 2-iodo-benzene-sulfonate monohydrate.

作者信息

Arshad Muhammad Nadeem, Tahir M Nawaz, Khan Islam Ullah, Shafiq Muhammad, Siddiqui Waseeq Ahmad

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 29;64(Pt 12):m1628. doi: 10.1107/S1600536808039202.

DOI:10.1107/S1600536808039202
PMID:21581218
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960107/
Abstract

In the title compound, Na(+)·C(6)H(4)IO(3)S(-)·H(2)O, the Na atom is hexa-coordinated by O atoms, forming a two-dimensional sheet-like structure in the bc plane, with the iodo-benzene rings protruding above and below. Na⋯O contact distances are in the range 2.419 (2)-2.7218 (18) Å and O⋯Na⋯O angles are in the range 73.70 (5)-158.64 (7)°. The crystal structure is stabilized by O-H⋯O and C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The I atom is disordered over two positions with occupancies of 0.78 (2) and 0.22 (2).

摘要

在标题化合物Na⁺·C₆H₄IO₃S⁻·H₂O中,Na原子由O原子六配位,在bc平面形成二维片状结构,碘苯环在上下方突出。Na⋯O接触距离在2.419(2) - 2.7218(18) Å范围内,O⋯Na⋯O角度在73.70(5) - 158.64(7)°范围内。晶体结构通过O - H⋯O和C - H⋯O氢键以及C - H⋯π相互作用得以稳定。I原子在两个位置上无序,占有率分别为0.78(2)和0.22(2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7cc/2960107/139efc212330/e-64-m1628-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7cc/2960107/d354a61eaeac/e-64-m1628-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7cc/2960107/139efc212330/e-64-m1628-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7cc/2960107/d354a61eaeac/e-64-m1628-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d7cc/2960107/139efc212330/e-64-m1628-fig2.jpg

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