In the title molecular salt, C16H10NO+·I−, the dihedral angle between the pyridinium and benzene rings is 6.61 (8)°. In the crystal, the cation is linked to the anion by a C—H...I interaction arising from the activated aromatic C atom adjacent to the N+ cation.

Kalainathan S

Department of Physics

School of Advanced Sciences

Vellore Campus

Ruban Kumar A

Ramkumar T

Department of Computer Applications

School of Information Technology and Engineering

Venkatachalam Ramkumar

Senthil K

Podder J.

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-[(E)-2-(4-Meth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium iodide.

Acta Crystallographica Section E: Structure Reports Online

Optical Materials

Synthesis, growth, structural and HOMO and LUMO, MEP analysis of a new stilbazolium derivative crystal: A enhanced third-order NLO properties with a high laser-induced damage threshold for NLO applications

Single crystal of 2-[2-(4-methoxy-phenyl)-vinyl]-1-methylstilbazolium iodide (4MESI) was grown by the slow evaporation method. Single-crystal X-ray diffraction analysis reveals the formation of the title crystal. The density of the grown crystals was measured, and it was compared with theoretically calculated value. The FTIR and powder XRD of 4MESI were performed at room temperature. The different types of proton present in the crystal structure have been confirmed by NMR spectroscopic study. UV-Vis-NIR spectral studies reveal that 4MESI crystals are good optical transparency in the entire visible region. The photoluminescence spectrum of 4MESI shows violet and blue emission. Thermal stability and behavior of the grown crystal have been investigated by TG and DTG analysis. It shows that the grown crystal has melting point at 243°C. Mechanical hardness of the grown crystals was estimated by Vickers microhardness tester. The grown crystals were also characterized by chemical etching and dielectric studies, and the results are discussed in detail. © 2014 Akadémiai Kiadó, Budapest, Hungary.

Journal of Thermal Analysis and Calorimetry

Bulk size crystal growth, spectral, optical, luminescence, thermal, mechanical, and dielectric properties of organic single crystal

2-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridinium iodide

Crystal Research and Technology

Growth and characterization of a novel organic NLO crystal: 4 – ethoxy benzaldehyde – n – methyl 4 – stilbazolium tosylate

Journal of Applied Crystallography

WinGXandORTEP for Windows: an update

Acta Crystallographica Section E Structure Reports Online

(E)-2-[4-(Dimethylamino)styryl]-1-methylpyridinium 4-methylbenzenesulfonate monohydrate

<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

Journal	Acta Crystallographica Section E: Structure Reports Online
ISSN	16005368
Open Access	Yes