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4-羟基-2-异丙基-1,1-二氧代-2H-1,2-苯并噻嗪-3-羧酸甲酯

Methyl 4-hy-droxy-2-isopropyl-1,1-dioxo-2H-1,2-benzothia-zine-3-carboxyl-ate.

作者信息

Arshad Muhammad Nadeem, Khan Islam Ullah, Zia-Ur-Rehman Muhammad, Rafique H M, Holman K Travis

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1823-4. doi: 10.1107/S1600536811024573. Epub 2011 Jun 25.

DOI:10.1107/S1600536811024573
PMID:21837192
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3152111/
Abstract

In the crystal structure of the title mol-ecule, C(13)H(15)NO(5)S, the S and N atoms of the thia-zine ring exihibit the maximum deviations from the least-squares plane of 0.3008 (6) and 0.3280 (7) Å, respectively. The ring therefore adopts a half chair conformation. The thia-zine ring is twisted by an angle of 13.29 (7)° with respect to the aromatic ring. The isopropyl substituent is oriented at a dihedral angle of 53.2 (12)° with respect to the thia-zine ring. An intra-molecular O-H⋯O hydrogen bond occurs. Inter-molecular hydrogen bonding is observed in the crystal structure.

摘要

在标题分子C(13)H(15)NO(5)S的晶体结构中，噻嗪环的S和N原子与最小二乘平面的最大偏差分别为0.3008 (6) Å和0.3280 (7) Å。因此，该环呈半椅构象。噻嗪环相对于芳香环扭转了13.29 (7)°。异丙基取代基相对于噻嗪环的二面角为53.2 (12)°。分子内存在O-H⋯O氢键。在晶体结构中观察到分子间氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bb2/3152111/dba5259c2545/e-67-o1823-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bb2/3152111/8f057f869967/e-67-o1823-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bb2/3152111/dba5259c2545/e-67-o1823-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bb2/3152111/8f057f869967/e-67-o1823-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4bb2/3152111/dba5259c2545/e-67-o1823-fig2.jpg

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本文引用的文献

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2
Methyl 3-hydr-oxy-4-oxo-3,4-dihydro-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide monohydrate.3-羟基-4-氧代-3,4-二氢-2H-1,2-苯并噻嗪-3-羧酸甲酯1,1-二氧化物一水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Sep 30;64(Pt 10):o2045. doi: 10.1107/S1600536808030948.
3
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.
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.
5
Synthesis of potential biologically active 1,2-benzothiazin-3-yl-quinazolin-4(3H)-ones.潜在生物活性1,2-苯并噻嗪-3-基喹唑啉-4(3H)-酮的合成
Chem Pharm Bull (Tokyo). 2006 Aug;54(8):1175-8. doi: 10.1248/cpb.54.1175.
6
Interaction of meloxicam with cimetidine, Maalox, or aspirin.美洛昔康与西咪替丁、氢氧化铝镁混悬液或阿司匹林的相互作用。
J Clin Pharmacol. 1996 Jan;36(1):79-84. doi: 10.1002/j.1552-4604.1996.tb04155.x.
7
Synthesis and antiinflammatory activity of some 3-carboxamides of 2-alkyl-4-hydroxy-2H-1,2-benzothiazine 1,1-dioxide.
J Med Chem. 1971 Dec;14(12):1171-5. doi: 10.1021/jm00294a008.