Crystallography Open Database

Information card for entry 7061984

7061983 << 7061984 >> 7061985

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Coordinates	7061984.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H8 Br0.25 Cl N2 O3
Calculated formula	C13 H9 Br N2 O3
Title of publication	Photo-and thermoresponsive N-salicylideneaniline derivatives: solid-state studies and structural aspects
Authors of publication	Hulushe, Siya T.; Malan, Frederick P.; Hosten, Eric C.; Lobb, Kevin A.; Khanye, Setshaba D.; Watkins, Gareth M.
Journal of publication	New Journal of Chemistry
Year of publication	2022
a	7.4403 ± 0.0001 Å
b	11.522 ± 0.0002 Å
c	14.0179 ± 0.0002 Å
α	90°
β	93.669 ± 0.001°
γ	90°
Cell volume	1199.25 ± 0.03 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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