The quinolinyl fused-ring of the title compound, C11H 8ClNO, is almost planar (r.m.s. deviation = 0.013 Å); the formyl group is slightly bent out of the plane of the fused ring system [C- C- C- O torsion angle = 13.5 (4)°].

Nawaz Khan F

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Dr.Subashini Rajagopal

VIT Business School

Chennai Campus

Mohana Roopan S

Hathwar V.R

Ng S.W.

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

2-Chloro-6-methylquinoline-3-carbaldehyde

Acta Crystallographica Section E Structure Reports Online

AbstractThe Mitsunobu reaction is a well-established fundamental reaction and has been widely applied in organic synthesis. In this paper, under Mitsunobu conditions dehydration proceeds between (2-chloroquinolin-3-yl)methanol and nitrogen heterocyclic compounds such as quinazolinone, pyrimidone, 2-oxoquinoline in dry THF in the presence of triethylamine, triphenylphosphane and diethyl azodicarboxylate to give the corresponding products. As part of our recent research, we attempted to couple two N-heterocyclic compounds under Mitsunobu reaction conditions to provide efficient building blocks for natural product synthesis.

Chemical Papers

Regioselective N-alkylation of (2-chloroquinolin-3-yl) methanol with N-heterocyclic compounds using the Mitsunobu reagent

In the title molecule, C19H14ClN3O, the quinoline and quinazoline ring systems form a dihedral angle of 80.75 (4)°. In the crystal, the molecules are linked by pairs of C-H⋯N hydrogen bonds into centrosymmetric dimers, generating R22(6) ring motifs. The structure is further stabilized by C-H⋯π inter-actions and π-π stacking inter-actions [centroid-centroid distances = 3.7869 (8) and 3.8490 (8) Å].

3-[(2-Chloro-6-methylquinolin-3-yl)methyl]quinazolin-4(3H)-one

The title compound, C11H10ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.026 Å). In the crystal, molecules are linked by O-H⋯O hydrogen bonds, generating C(2) chains, and weak C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.713 (3) Å] help to consolidate the structure.

(2-Chloro-6-methylquinolin-3-yl)methanol

In the title compound, C15H12ClN3O, the quinoline ring system is essentially planar, with a maximum deviation of 0.017 (1) Å. The crystal packing is stabilized by π-π stacking interactions between the quinoline rings of adjacent molecule, with a centroid-centroid distance of 3.5913 (8) Å. A weak C - H⋯π contact is also observed between molecules. © 2010.

2-Chloro-8-methyl-3-[(pyrimidin-4-yloxy)methyl]quinoline

AbstractAn efficient ligand-free cross-coupling reaction of 2-chloro-3-(chloromethyl)benzo[h]quinoline with N-heterocycles such as piperidin-4-one, 4(3H)-pyrimidone, and ethyl 6-chloro-1,2-dihydro-2-oxo-4-phenylquinoline-3-carboxylate using a catalytic amount of ZnO nanorods as a recyclable catalyst and KOH as the base in DMSO under reflux at 110°C is reported.

ZnO nanorods catalyzed N-alkylation of piperidin-4-one, 4(3H)-pyrimidone, and ethyl 6-chloro-1,2-dihydro-2-oxo-4-phenylquinoline-3-carboxylate

Journal of Applied Crystallography

publCIF: software for editing, validating and formatting crystallographic information files

<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