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1-苯基-3H-2,3-苯并二氮杂䓬-4(5H)-酮

1-Phenyl-3H-2,3-benzodiazepin-4(5H)-one.

作者信息

Daouda Ballo, Bihel Frédéric, Doumbia Mouhamadou Lamine, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2443. doi: 10.1107/S1600536812031327. Epub 2012 Jul 14.

DOI:10.1107/S1600536812031327
PMID:22904890
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414357/
Abstract

The seven-membered ring in the title compound, C(15)H(12)N(2)O, adopts a boat-shaped conformation (with the methyl-ene C atom as the prow and the double-bond C=N pair of atoms as the stern). In the crystal, adjacent mol-ecules are linked by an N-H⋯O hydrogen bond to generate helical chains running along the a axis of the ortho-rhom-bic unit cell.

摘要

标题化合物C(15)H(12)N(2)O中的七元环呈船形构象（以亚甲基C原子为船头，碳氮双键的一对原子为船尾）。在晶体中，相邻分子通过N-H⋯O氢键相连，形成沿正交晶胞a轴延伸的螺旋链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/618e/3414357/b5f5a56b5a11/e-68-o2443-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/618e/3414357/b819ceaaaee7/e-68-o2443-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/618e/3414357/b5f5a56b5a11/e-68-o2443-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/618e/3414357/b819ceaaaee7/e-68-o2443-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/618e/3414357/b5f5a56b5a11/e-68-o2443-fig2.jpg

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本文引用的文献

1
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.
2
5-phenyl-9H-1,3-dioxolo[4,5-h][2,3]benzodiazepin-8(7H)-one.5-苯基-9H-1,3-二氧杂环戊并[4,5-h][2,3]苯并二氮杂䓬-8(7H)-酮
Acta Crystallogr C. 2003 Mar;59(Pt 3):o117-9. doi: 10.1107/s010827010300088x. Epub 2003 Feb 11.
3
4,5-Dihydro-7,8-dimethoxy-1-phenyl-3H-2,3-benzodiazepin-4-one.4,5-二氢-7,8-二甲氧基-1-苯基-3H-2,3-苯并二氮杂䓬-4-酮
Acta Crystallogr C. 2001 Oct;57(Pt 10):1225-7. doi: 10.1107/s0108270101011805. Epub 2001 Oct 12.