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Related Experiment Video

Updated: May 22, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate

Published on: April 24, 2018

Lurasidone hydro-chloride.

Hua Zhang¹, Hubo Wang, Xueyan Zhu

¹Shanghai Institute of Pharmaceutical Industry, No. 1111, North ZhongShan No.1 Road, HongKou District, Shanghai 200437, People's Republic of China.

Acta Crystallographica. Section E, Structure Reports Online

|May 17, 2012

Summary

The crystal structure of a novel benzothiazole derivative was elucidated, revealing specific hydrogen bonding interactions. This detailed molecular understanding is key for designing new chemical entities.

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Last Updated: May 22, 2026

Syntheses, Crystallization, and Spectroscopic Characterization of 3,5-Lutidine N-Oxide Dehydrate

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Published on: October 15, 2017

Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

The title compound, C(28)H(37)N(4)O(2)S(+)·Cl(-), represents a complex organic salt with potential applications in medicinal chemistry or materials science.
Understanding the precise arrangement of atoms and intermolecular forces in crystalline solids is fundamental for predicting and controlling their properties.

Purpose of the Study:

To determine the three-dimensional crystal structure of the title compound.
To identify and analyze the intermolecular interactions stabilizing the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was employed to collect diffraction data.
The crystal structure was solved and refined using standard crystallographic software.

Main Results:

The crystal structure revealed the presence of discrete benzothiazole-piperazinium cations and chloride anions.
N-H⋯Cl hydrogen bonds were identified as the primary stabilizing interactions between the cations and anions.
Additional weaker interactions, including C-H⋯π and C-H⋯O, further contribute to the crystal packing.

Conclusions:

The crystal structure provides a detailed molecular blueprint of the title compound.
The identified intermolecular interactions offer insights into the solid-state behavior and potential for crystal engineering.