Crystallography Open Database

Information card for entry 2101418

Preview

Coordinates	2101418.cif
Original IUCr paper	HTML

Structure parameters

Formula	C13 H13 N5 O
Calculated formula	C13 H13 N5 O
Title of publication	Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups
Authors of publication	Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G.
Journal of publication	Acta Crystallographica Section B
Year of publication	1995
Journal volume	51
Journal issue	6
Pages of publication	1004 - 1015
a	18.97 ± 0.003 Å
b	5.77 ± 0.002 Å
c	23.578 ± 0.004 Å
α	90°
β	97.22 ± 0.02°
γ	90°
Cell volume	2560.3 ± 1.1 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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