1-(4-Methylbenzoyl)-3-[5-(4-pyridyl)-1,3,4-thiadiazol-2-yl]urea

Autor:	Zi-Yun Wang, Xin-Jian Song, Xiu-Huan Zhan, Zhi-Wei Tan, Xiao-Hong Tan
Jazyk:	angličtina
Rok vydání:	2008
Předmět:	Hydrogen bond Maximum deviation General Chemistry Dihedral angle Condensed Matter Physics Ring (chemistry) Bioinformatics Organic Papers Planarity testing lcsh:Chemistry chemistry.chemical_compound Crystallography chemistry lcsh:QD1-999 Pyridine Urea General Materials Science Benzene
Zdroj:	Acta Crystallographica Section E, Vol 64, Iss 12, Pp o2255-o2255 (2008) Acta Crystallographica Section E: Structure Reports
ISSN:	1600-5368
Popis:	In the title compound, C16H13N5O2S, the five non-H atoms of the urea linkage adopt a planar configuration owing to the presence of an intramolecular N—H...O hydrogen bond. The maximum deviation from planarity is 0.022 (2) Å. The thiadiazole and pyridine heterocyclic rings are close to being coplanar, with a dihedral angle of 6.7 (2)° between their mean planes. Intermolecular N—H...O hydrogen bonds link two neighbouring molecules into centrosymmetric R22(8) dimers. Four C atoms and the attached H atoms of the benzene ring are disordered over two positions of equal occupancy.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b327f535cea8dbe64c5a9691d1779972 http://scripts.iucr.org/cgi-bin/paper?S1600536808035149 Zobrazit plný text záznamu