2-Oxo-3,4-dihydro-1,4-benzoxazine-4-acetic acid

✍ Scribed by Li, Hong-Gang ;Dou, Jian-Min ;Li, Da-Cheng ;Wang, Da-Qi

• Publisher: International Union of Crystallography
• Year: 2007
• Tongue: English
• Weight: 836 KB
• Volume: 63
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s160053680702613x

✦ Synopsis

In the title compound, C 10 H 9 NO 4 , the 2-oxo-3,4-dihydro-1,4benzoxazine unit is not planar. Adjacent molecules are linked together to form a two-dimensional supramolecular structure through C-HÁ Á ÁO and O-HÁ Á ÁO hydrogen bonding.

Related literature

For general background, see: Yagai (2006); Desiraju (1995). For a related structure, see: Desiraju (2003). Experimental Crystal data C 10 H 9 NO 4 M r = 207.18 Monoclinic, C2=c a = 21.782 (3) A b = 9.743 (2) A c = 9.271 (2) A ˚ = 108.178 (2) V = 1869.2 (6) A ˚3 Z = 8 Mo K radiation = 0.12 mm À1 T = 298 (2) K 0.56 Â 0.49 Â 0.20 mm Data collection Bruker SMART CCD area-detector diffractometer Absorption correction: none 4535 measured reflections 1632 independent reflections 887 reflections with I > 2(I) R int = 0.069 Refinement R[F 2 > 2(F 2 )] = 0.053 wR(F 2