The molecule of title compound, C11H10ClNO, is close to being planar (r.m.s deviation for the non-H atoms = 0.017 Å). In the crystal, molecules inter-act by way of O-H⋯O hydrogen bonds, generating C(2) chains propagating in [010]. The crystal structure is consolidated by C-H⋯π inter-actions and aromatic π-π stacking inter-actions [centroid-centroid distance = 3.661 (2) Å].

Mohana Roopan S

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Kumar R

Computer Science

School of Computer Science and Engineering

Chennai Campus

Nawaz Khan F

Hathwar V.R

Akkurt M.

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.

&nbsp;

&nbsp;

VIT University

(2-Chloro-8-methyl­quinolin-3-yl)methanol

Acta Crystallographica Section E Structure Reports Online

In the title compound, C11H10ClNO2· H2O, the organic molecule is roughly planar (r.m.s. deviation = 0.074 Å). In the crystal structure, molecues are linked by O-H⋯O and O-H⋯N hydrogen bonds and weak C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.578 (3) Å] consolidate the packing. A short Cl⋯O contact [3.147 (3) Å] is also observed.

(2-Chloro-8-methoxyquinolin-3-yl)methanol monohydrate

The quinoline fused-ring system of the title compound, C11H 8ClNO, is planar (r.m.s. deviation = 0.005 Å); the formyl group is slightly bent out of the plane [C- C- C-O1 torsion angles = 8.8 (7) and-172.8 (4)°].

2-Chloro-8-methylquinoline-3-carbaldehyde

<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