Crystallography Open Database

Information card for entry 4020377

4020376 << 4020377 >> 4020378

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Structure parameters

Formula	C15 H11 F3 N2 O
Calculated formula	C15 H11 F3 N2 O
SMILES	O=C1N(CNc2c1cccc2)c1c(cccc1)C(F)(F)F
Title of publication	Stannous Chloride in Alcohol: A One-Pot Conversion of 2-Nitro-N-arylbenzamides to 2,3-Dihydro-1H-quinazoline-4-ones
Authors of publication	Choong Leol Yoo; James C. Fettinger; Mark J. Kurth
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	6941 - 6943
a	7.674 ± 0.001 Å
b	13.3249 ± 0.0017 Å
c	25.56 ± 0.003 Å
α	90°
β	91.49 ± 0.003°
γ	90°
Cell volume	2612.8 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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