Crystallography Open Database

Information card for entry 1571462

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Coordinates	1571462.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Br N2
Calculated formula	C23 H19 Br N2
Title of publication	Detection of TNP and Sulfite Ion in Aqueous Medium by Pyrazinium-based Chemosensor
Authors of publication	Pragya, Pragya; Rangan, Krishnan; Khungar, Bharti
Journal of publication	Sensors & Diagnostics
Year of publication	2024
a	23.0173 ± 0.0003 Å
b	10.1152 ± 0.0001 Å
c	26.443 ± 0.0003 Å
α	90°
β	113.484 ± 0.001°
γ	90°
Cell volume	5646.64 ± 0.12 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
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	0.0383
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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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