Crystallography Open Database

Information card for entry 2101412

Preview

Coordinates	2101412.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H11 N O
Calculated formula	C10 H11 N O
SMILES	O=C(C(=C)C)Nc1ccccc1
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	9.132 ± 0.003 Å
b	12.931 ± 0.003 Å
c	15.514 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1832 ± 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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