The title compound, C15H11NO, consists of a planar isoquinolinone group to which a phenyl ring is attached in a twisted fashion [dihedral angle = 39.44 (4)°]. The crystal packing is dominated by inter-molecular N - H⋯O and C - H⋯O hydrogen bonds which define centrosymmetric dimeric entitities.

Dr.Subashini Rajagopal

VIT Business School

Chennai Campus

Nawaz Khan F

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Manivel P

Hathwar V.R

Nithya P

Fulltext

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VIT University

3-Phenyl-isoquinolin-1(2H)-one.

Acta Crystallographica Section E Structure Reports Online

N-substituted pyrazoles, pyrroles, and pyrazolones have been synthesized from 1,3 diketones, 1,4 diketones or α-haloesters, and hydrazinoisoquinolines. Reaction occurred at room temperature and furnished the desired products in excellent yields. The structures of the synthesized products were confirmed spectroscopically, including use of one dimensional 1H and 13C NMR spectroscopy and two-dimensional H,H-COSY and C,H-COSY. The antioxidant activity of the pyrazoles was evaluated and compared with that of the standard antioxidant BHT. Graphical Abstract: [Figure not available: see fulltext.]. © 2013 Springer Science+Business Media Dordrecht.

Research on Chemical Intermediates

Synthesis, structure determination, and antioxidant activity of novel 1-pyrazolyl-3-substituted isoquinolines, 1-pyrrolyl 3-substituted isoquinolin-1-amine, and 1-pyrazolonyl-substituted isoquinolines

A mild and efficient method for the synthesis of thioethers has been developed. The 3-phenylisoquinoline-1(2H)-thione underwent S-alkylation to afford structurally diverse sulfides in high yield. Copyright © 2010 Taylor &amp; Francis Group, LLC.

Phosphorus, Sulfur, and Silicon and the Related Elements

Synthesis of Diversified Thioethers, 1-Aroylalkylisoquinolin-1-yl Thioethers, by Electrophilic S-Alkylation of 3-Phenyl Isoquinoline-1(2H)-thione

3-Phenylisoquinolin-1(2H)-one

<jats:p>An account is given of the development of the<jats:italic>SHELX</jats:italic>system of computer programs from<jats:italic>SHELX</jats:italic>-76 to the present day. In addition to identifying useful innovations that have come into general use through their implementation in<jats:italic>SHELX</jats:italic>, a critical analysis is presented of the less-successful features, missed opportunities and desirable improvements for future releases of the software. An attempt is made to understand how a program originally designed for photographic intensity data, punched cards and computers over 10000 times slower than an average modern personal computer has managed to survive for so long.<jats:italic>SHELXL</jats:italic>is the most widely used program for small-molecule refinement and<jats:italic>SHELXS</jats:italic>and<jats:italic>SHELXD</jats:italic>are often employed for structure solution despite the availability of objectively superior programs.<jats:italic>SHELXL</jats:italic>also finds a niche for the refinement of macromolecules against high-resolution or twinned data;<jats:italic>SHELXPRO</jats:italic>acts as an interface for macromolecular applications.<jats:italic>SHELXC</jats:italic>,<jats:italic>SHELXD</jats:italic>and<jats:italic>SHELXE</jats:italic>are proving useful for the experimental phasing of macromolecules, especially because they are fast and robust and so are often employed in pipelines for<jats:italic>high-throughput</jats:italic>phasing. This paper could serve as a general literature citation when one or more of the open-source<jats:italic>SHELX</jats:italic>programs (and the Bruker AXS version<jats:italic>SHELXTL</jats:italic>) are employed in the course of a crystal-structure determination.</jats:p>

Acta Crystallographica Section A Foundations of Crystallography

A short history ofSHELX

Anti-Corrosion Methods and Materials

Bruker AXS announces SMART BREEZE™

Journal of Applied Crystallography

Single-crystal structure validation with the programPLATON

Bioorganic & Medicinal Chemistry

Molecular modeling of 3-arylisoquinoline antitumor agents active against A-549. A comparative molecular field analysis study

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	Yes