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Journals / Turkish Journal of Chemistry / 2010 / Cilt: 34 - Sayı: 5

Synthesis, spectroscopic characterization, mass spectrometry, and crystal structure of N-{[(4-bromophenyl)amino]carbonothioyl}benzamide

Sohail SAEED
Naghmana RASHID
Moazzam Hussain BHATTI
Pages
761–770
Publication Date
2010-05-01
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

The mass fragmentation pattern is also discussed.

📌 3 Key Takeaways

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Objective & Hypothesis:N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, 1H- and 13C-NMR, mass spectrometry, and elemental analysis.
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Key Findings & Data:It crystallizes in monoclinic space group P21/n with unit cell dimensions a = 13.822(3) Å, b = 5.927(2) Å, c = 16.642(3) Å, and b = 103.963(3)°.
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Conclusion & Impact:The mass fragmentation pattern is also discussed.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Thiourea derivative · X-ray structure determination · mass fragmentation

Abstract

N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, 1H- and 13C-NMR, mass spectrometry, and elemental analysis. The crystal structure was determined from single crystal X-ray diffraction data. It crystallizes in monoclinic space group P21/n with unit cell dimensions a = 13.822(3) Å, b = 5.927(2) Å, c = 16.642(3) Å, and b = 103.963(3)°. There is a strong intramolecular hydrogen bond of the type N_H L O, with an HL O distance of 2.6129 (11) Å. The mass fragmentation pattern is also discussed.

Özet

N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, 1H- and 13C-NMR, mass spectrometry, and elemental analysis. The crystal structure was determined from single crystal X-ray diffraction data. It crystallizes in monoclinic space group P21/n with unit cell dimensions a = 13.822(3) Å, b = 5.927(2) Å, c = 16.642(3) Å, and b = 103.963(3)°. There is a strong intramolecular hydrogen bond of the type N_H L O, with an HL O distance of 2.6129 (11) Å. The mass fragmentation pattern is also discussed.

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Cite This Article

SAEED, S., RASHID, N., BHATTI, M. H. (2010). Synthesis, spectroscopic characterization, mass spectrometry, and crystal structure of N-{[(4-bromophenyl)amino]carbonothioyl}benzamide. Turkish Journal of Chemistry, Cilt: 34 - Sayı: 5, 761–770. https://ajindex.com/articles/185123

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