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

Authors

SOHAIL SAEED
NAGHMANA RASHID
MOAZZAM BHATTI
PETER JONES

DOI

10.3906/kim-0912-415

Abstract

N-{[(4-bromophenyl)amino]carbonothioyl}benzamide was synthesized and characterized by IR, ^1H- and ^{13}C-NMR, mass spectrometry, and elemental analysis. The crystal structure was determined from single crystal X-ray diffraction data. It crystallizes in monoclinic space group P2_1/n with unit cell dimensions a = 13.822(3) Å, b = 5.927(2) Å, c = 16.642(3) Å, and \beta = 103.963(3)°. There is a strong intramolecular hydrogen bond of the type N__H \Lambda O, with an H\Lambda O distance of 2.6129 (11) Å. The mass fragmentation pattern is also discussed.

Keywords

Thiourea derivative, X-ray structure determination, mass fragmentation

First Page

761

Last Page

770

Recommended Citation

SAEED, SOHAIL; RASHID, NAGHMANA; BHATTI, MOAZZAM; and JONES, PETER (2010) "Synthesis, spectroscopic characterization, mass spectrometry, and crystal structure of N-{[(4-bromophenyl)amino]carbonothioyl}benzamide," Turkish Journal of Chemistry: Vol. 34: No. 5, Article 7. https://doi.org/10.3906/kim-0912-415
Available at: https://journals.tubitak.gov.tr/chem/vol34/iss5/7