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2-Ethyl-3-[(R)-2-phenyl-butanamido]-quinazolin-4(3H)-one monohydrate.

作者信息

El-Hiti Gamal A, Smith Keith, Hegazy Amany S, Jones D Heulyn, Kariuki Benson M

机构信息

Cornea Research Chair, Department of Optometry, College of Applied Medical Sciences, King Saud University, PO Box 10219, Riyadh 11433, Saudi Arabia.

School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Mar 22;70(Pt 4):o467. doi: 10.1107/S1600536814005996. eCollection 2014 Apr 1.

DOI:10.1107/S1600536814005996
PMID:24826166
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998561/
Abstract

In the title compound, C20H21N3O2·H2O (EQR·H2O), the quinazoline ring system forms dihedral angles of 53.1 (1) and 85.6 (1)° with the phenyl ring and the amide link, respectively. In the crystal, O-H⋯O hydrogen bonds link two EQR and two water mol-ecules into a centrosymmetric R 4 (4)(18) ring motif. N-H⋯O hydrogen bonds further link these hydrogen-bonded fragments into columns extending in [010].

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dcd3/3998561/e124ee4cdd12/e-70-0o467-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dcd3/3998561/2de23847dd06/e-70-0o467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dcd3/3998561/e124ee4cdd12/e-70-0o467-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dcd3/3998561/2de23847dd06/e-70-0o467-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/dcd3/3998561/e124ee4cdd12/e-70-0o467-fig2.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 Nov;67(Pt 11):o2928. doi: 10.1107/S1600536811040736. Epub 2011 Oct 12.
2
3-(2-Amino-ethyl)-2-(4-chloro-anilino)-quinazolin-4(3H)-one methanol 0.75-solvate.
Acta Crystallogr Sect E Struct Rep Online. 2008 Dec 7;65(Pt 1):o185-6. doi: 10.1107/S160053680804049X.
3
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.
4
Lithiation of 2-Alkyl-3-amino- and 2-Alkyl-3-(methylamino)-4(3H)-quinazolinones(1).2-烷基-3-氨基-和2-烷基-3-(甲氨基)-4(3H)-喹唑啉酮(1)的锂化反应
J Org Chem. 1996 Jan 26;61(2):656-661. doi: 10.1021/jo950989l.
5
Lithiation of 3-(Acylamino)-2-unsubstituted-, 3-(Acylamino)-2-ethyl-, and 3-(Acylamino)-2-propyl-4(3H)-quinazolinones: Convenient Syntheses of More Complex Quinazolinones(1).3-(酰氨基)-2-未取代的、3-(酰氨基)-2-乙基的和3-(酰氨基)-2-丙基-4(3H)-喹唑啉酮的锂化反应：更复杂喹唑啉酮的简便合成方法(1)。
J Org Chem. 1996 Jan 26;61(2):647-655. doi: 10.1021/jo950988t.