In the title compound, C10H7ClN4, the quinoline ring system is planar [maximum deviation 0.0035 (10) Å]. The crystal structure is stabilized by van der Waals and π-π stacking inter-actions [centroid-centroid distance 3.6456 (17) Å]. © 2009.

Vijayakumar V

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Natarajan S

Rajesh K

Suresh J

Lakshman P.L.N.

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

4-Azido-2-chloro-6-methyl-quinoline.

Acta Crystallographica Section E Structure Reports Online

Highly regioselective reaction of some substituted 2,4-dichloroquinolines with symmetrical 1,4-dihydropyridines, leading to novel quinoline derivatives of DHPs, has been achieved in the presence of powdered K2CO 3, as a mild and efficient base, at moderate temperature. All the synthesized compounds were characterized by use of IR, NMR, and mass spectral data. © 2013 Springer Science+Business Media Dordrecht.

Research on Chemical Intermediates

Regioselective synthesis of novel 2-chloroquinoline derivatives of 1,4-dihydropyridines

A series of quinoline-based coumarin derivatives have been synthesized by one pot dehydrochlorination of 2,4-dichloroquinolines (1a-g); 7-hydroxy-4-methyl-2H-chromen-2-one (2) under ultrasonic irradiation method with high regio selectivity. All the synthesized compounds were characterized through spectral data and screened against representative antibacterial and antioxidant activities. Some of the compounds are found to be equipotent or more potent than that of standard drugs. Molecular docking studies show that the binding energy value of the compounds is very less than that of standard chloroquine and amodiaquine drugs. © 2012 Springer Science+Business Media New York.

Medicinal Chemistry Research

Ultrasound-promoted synthesis, biological evaluation and molecular docking of novel 7-(2-chloroquinolin-4-yloxy)-4-methyl-2H-chromen-2-one derivatives

Ultrasound-promoted reaction of substituted 2,4-dichloroquinolines (1) with ethyl 4-(3-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5- carboxylate (2) in the presence of K2CO3 as mild base at moderate temperatures leads to 2-chloroquinolin-4-pyrimidine carboxylate derivatives (3) with high regioselectivity. All the compounds synthesized were characterized by use of spectral data and screened for their antibacterial activity against two Gram-positive (Staphylococcus aureus, Bacillus cereus) and two Gram-negative (Escherichia coli and Pseudomonas aeruginosa) bacteria. Activity was moderate. © 2012 Springer Science+Business Media B.V.

Ultrasound-promoted synthesis of novel 2-chloroquinolin-4-pyrimidine carboxylate derivatives as potential antibacterial agents

Reaction of substituted 2,4-dichloroquinolines with bisphenol A in the presence of K2CO3 leads to novel bis(2-chloroquinolines) with high regioselectivity. All the synthesized compounds were characterized by use of spectral data. Preliminary evaluation of in-vitro antibacterial activity against a variety of Gram-positive and Gram-negative organisms was also conducted. © 2012 Springer Science+Business Media Dordrecht.

Regioselective synthesis and biological evaluation of novel bis(2-chloroquinolines)

4-Azido-2-chloro-6-methylquinoline

Acta Crystallographica Section D Biological Crystallography

Structure validation in chemical crystallography

<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>

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