Crystallography Open Database

Information card for entry 4503365

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Structure parameters

Formula	C26 H20 Cl N O
Calculated formula	C26 H20 Cl N O
SMILES	Clc1c(NC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)cccc1
Title of publication	The NH···X (X = Cl, Br, and I) Hydrogen-Bonding Pattern in Aromatic Amides: A Crystallographic and1H NMR Study
Authors of publication	Zhu, Yuan-Yuan; Yi, Hui-Ping; Li, Chuang; Jiang, Xi-Kui; Li, Zhan-Ting
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	4
Pages of publication	1294
a	9.4867 ± 0.0018 Å
b	9.7306 ± 0.0018 Å
c	12.954 ± 0.002 Å
α	73.327 ± 0.004°
β	75.438 ± 0.004°
γ	65.863 ± 0.003°
Cell volume	1033 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0789
Weighted residual factors for significantly intense reflections	0.2118
Weighted residual factors for all reflections included in the refinement	0.2487
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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