Crystallography Open Database

Information card for entry 2101417

Preview

Coordinates	2101417.cif
Original IUCr paper	HTML

Structure parameters

Formula	C16 H10 Cl N O2
Calculated formula	C16 H10 Cl N O2
SMILES	ClC1=C(Nc2ccccc2)C(=O)c2c(C1=O)cccc2
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	4.823 ± 0.001 Å
b	22.371 ± 0.003 Å
c	11.814 ± 0.003 Å
α	90°
β	97.04 ± 0.02°
γ	90°
Cell volume	1265.1 ± 0.5 Å³
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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