Crystallography Open Database

Information card for entry 7230318

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Structure parameters

Common name	5Br3SAP-4ClBA
Chemical name	4-bromo-2-[(E)-3-pyridyliminomethyl]phenol, 4-chlorobenzoic acid
Formula	C19 H14 Br Cl N2 O3
Calculated formula	C19 H14 Br Cl N2 O3
Title of publication	Relationship between crystal structures and photochromic properties of N-salicylideneaminopyridine derivatives
Authors of publication	Sugiyama, Haruki; Uekusa, Hidehiro
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	15
Pages of publication	2144
a	33.0322 ± 0.0016 Å
b	6.2046 ± 0.0003 Å
c	18.52 ± 0.0008 Å
α	90°
β	109.216 ± 0.001°
γ	90°
Cell volume	3584.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0691
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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