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Crystal structures of 3‐methyl‐2(1 H )‐quinoxalinone and three substituted derivatives
Author(s) -
Mondieig Denise,
Negrier Philippe,
Massip Stéphane,
Leger Jean Michel,
Jarmoumi Chakir,
Lakhrissi Brahim
Publication year - 2011
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.1846
Subject(s) - triclinic crystal system , monoclinic crystal system , orthorhombic crystal system , chemistry , crystal structure , derivative (finance) , ring (chemistry) , hydrogen bond , nitro , stereochemistry , bicyclic molecule , crystal (programming language) , medicinal chemistry , crystallography , molecule , alkyl , organic chemistry , financial economics , economics , computer science , programming language
3‐Methyl‐2(1 H )‐quinoxalinone and three derivatives (3,7‐dimethyl‐2(1 H )‐quinoxalinone, 3‐methyl‐6,7‐dichloro‐2(1 H )‐quinoxalinone and 3‐methyl‐7‐nitro‐2(1 H )‐quinoxalinone) have been synthesised and analysed by 1 H NMR and IR spectral spectroscopies. The crystal structures have been determined at room temperature from X‐ray single crystal diffraction data for three of them and from powder diffraction data for the nitro derivative. 3‐Methyl‐2(1 H )‐quinoxalinone crystallises in the P2 1 /c monoclinic system, 3,7‐dimethyl‐2(1 H )‐quinoxalinone in the Pbca orthorhombic system and the two others compounds in the P $\overline {1} $ triclinic system. For the nitro derivative, CH $\cdots $ N short contacts are established between the carbon of the methyl and the double bounded nitrogen of the ring. For the three other compounds NH $\cdots $ O hydrogen bonds involve the atoms of the heterocyclic ring. Copyright © 2011 John Wiley & Sons, Ltd.