Crystallography Open Database

Information card for entry 2101414

Preview

Coordinates	2101414.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H13 N O3
Calculated formula	C11 H13 N O3
SMILES	COc1ccc(cc1)NC(=O)CC(=O)C
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	9.469 ± 0.002 Å
b	8.53 ± 0.003 Å
c	27.149 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2192.8 ± 0.9 Å³
Number of distinct elements	4
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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