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4-(1H-Benzimidazol-2-ylmeth-oxy)-3-meth-oxy-benzaldehyde tetra-hydrate.

作者信息

Jasinski Jerry P, Golen James A, Samshuddin S, Narayana B, Yathirajan H S

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):o2021-2. doi: 10.1107/S1600536811027164. Epub 2011 Jul 13.

DOI:10.1107/S1600536811027164
PMID:22091052
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3213473/
Abstract

In the title compound, C(16)H(14)N(2)O(3)·4H(2)O, the dihedral angle between the mean planes of the benzimidazole ring system and benzene ring is 2.9 (1)°. The aldehyde group is disordered over two sets of sites with refined occupancies of 0.559 (4) and 0.441 (4). In the crystal, extensive inter-molecular O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds in concert with weak π-π stacking inter-actions [centroid-centroid distances = 3.6104 (9), 3.6288 (9) and 3.9167 (10) Å] create a three-dimensional network.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/9401c3f41149/e-67-o2021-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/acf6bdc83d62/e-67-o2021-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/13727d630f7c/e-67-o2021-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/9401c3f41149/e-67-o2021-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/acf6bdc83d62/e-67-o2021-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/13727d630f7c/e-67-o2021-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6ae4/3213473/9401c3f41149/e-67-o2021-fig3.jpg

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本文引用的文献

1
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Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1088-9. doi: 10.1107/S1600536811012645. Epub 2011 Apr 13.
2
(2E)-3-{4-[(1H-1,3-Benzimidazol-2-yl)meth-oxy]-3-eth-oxy-phen-yl}-1-(4-bromo-phen-yl)prop-2-en-1-one monohydrate.（2E）-3-{4-[(1H-1,3-苯并咪唑-2-基)甲氧基]-3-乙氧基苯基}-1-(4-溴苯基)丙-2-烯-1-酮一水合物
Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o834-5. doi: 10.1107/S1600536811008154. Epub 2011 Mar 12.
3
4-(1H-Benzimidazol-2-ylmeth-oxy)-3-eth-oxy-benzaldehyde trihydrate.
4-（1H-苯并咪唑-2-基甲氧基）-3-乙氧基苯甲醛三水合物
Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 17;66(Pt 8):o2052. doi: 10.1107/S1600536810027455.
4
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.