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3-羟基-1-[(吗啉-4-基)甲基]哒嗪-6(1H)-酮

3-Hy-droxy-1-[(morpholin-4-yl)meth-yl]pyridazin-6(1H)-one.

作者信息

Santhi P R, Selvanathan G, Poongothai G, Srinivasan T, Velmurugan D

机构信息

Department of Chemistry, AVC College (Autonomous), Mannampandal 609 305, Tamilnadu, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o778. doi: 10.1107/S1600536813010477. Print 2013 May 1.

DOI:10.1107/S1600536813010477
PMID:23723922
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648302/
Abstract

In the title compound, C9H13N3O3, the morpholine ring adopts a chair conformation and its mean plane makes a dihedral angle of 68.00 (11)° with the pyridazine ring. The carbonyl O atom deviates from the plane of the pyridazine ring by 0.0482 (12) Å. An intra-molecular C-H⋯O hydrogen bond occurs. In the crystal, mol-ecules are linked by O-H⋯O and C-H⋯O hydrogen bonds, forming chains along [1-10].

摘要

在标题化合物C₉H₁₃N₃O₃中,吗啉环呈椅式构象,其平均平面与哒嗪环形成68.00 (11)°的二面角。羰基O原子偏离哒嗪环平面0.0482 (12) Å。存在分子内C—H⋯O氢键。在晶体中,分子通过O—H⋯O和C—H⋯O氢键相连,沿[1 -10]方向形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf7/3648302/a75f2fa77ba3/e-69-0o778-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf7/3648302/38e619166638/e-69-0o778-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf7/3648302/a75f2fa77ba3/e-69-0o778-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf7/3648302/38e619166638/e-69-0o778-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/daf7/3648302/a75f2fa77ba3/e-69-0o778-fig2.jpg

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本文引用的文献

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2
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Bioorg Med Chem Lett. 2010 Nov 15;20(22):6764-72. doi: 10.1016/j.bmcl.2010.08.131. Epub 2010 Sep 24.
3
Novel 4-(morpholin-4-yl)-N'-(arylidene)benzohydrazides: synthesis, antimycobacterial activity and QSAR investigations.
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Eur J Med Chem. 2009 Oct;44(10):3954-60. doi: 10.1016/j.ejmech.2009.04.023. Epub 2009 Apr 22.
4
Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
5
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.