3-(2-Aminoethyl)-2-anilinoquinazolin-4(3H)-one methanol hemisolvate

Autor:	Tao Gao, Seik Weng Ng, Yuan-Hong Jiao
Jazyk:	angličtina
Rok vydání:	2009
Předmět:	Hydrogen bond Substituent Atom (order theory) General Chemistry Condensed Matter Physics Bioinformatics Organic Papers Medicinal chemistry Solvent lcsh:Chemistry chemistry.chemical_compound chemistry lcsh:QD1-999 Intramolecular force General Materials Science Methanol
Zdroj:	Acta Crystallographica Section E, Vol 65, Iss 12, Pp o2989-o2989 (2009) Acta Crystallographica Section E: Structure Reports
ISSN:	1600-5368
Popis:	The title methanol hemisolvated quinazolin-(3H)-one, C16H16N4O·0.5CH3OH, has an anilino substituent in the 2-position and an aminoethyl substituent in the 3-position of the planar fused-ring system (r.m.s. deviation = 0.019 Å). The anilino N atom donates an intramolecular hydrogen bond to the aminoethyl N atom. The molecule and the solvent methanol molecule are linked by N—H...N, N—H...O and O—H...O hydrogen bonds. The methanol molecule is disordered over two equally occupied positions about a twofold rotation axis.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::785b5e1571d6c702d0ce9dc2e2829a69 http://scripts.iucr.org/cgi-bin/paper?S1600536809045516 Zobrazit plný text záznamu