Crystallography Open Database

Information card for entry 2101003

Preview

Coordinates	2101003.cif
Original IUCr paper	HTML

Structure parameters

Formula	C22 H17 N3 O2
Calculated formula	C22 H17 N3 O2
SMILES	N1/C(N(C(=O)c2c1cccc2)c1ccccc1C)=C\C(=O)c1ccncc1
Title of publication	Structural and molecular modeling studies of quinazolinone anticonvulsants
Authors of publication	Duke, N. E. C.; Codding, P. W.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	4
Pages of publication	719 - 726
a	5.618 ± 0.002 Å
b	30.329 ± 0.007 Å
c	10.456 ± 0.004 Å
α	90°
β	98.21 ± 0.02°
γ	90°
Cell volume	1763.3 ± 1 Å³
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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