Crystallography Open Database

Information card for entry 2022860

2022859 << 2022860 >> 2022861

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Coordinates	2022860.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4-Azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2<i>H</i>-1,2,3-triazole
Formula	C16 H13 N7 O2
Calculated formula	C16 H13 N7 O2
Title of publication	Crystal structure and Hirshfeld surface analysis of 4-azido-2-(3,5-dimethylphenyl)-5-(4-nitrophenyl)-2H-1,2,3-triazole
Authors of publication	Maharramov, Abel; Shikhaliyev, Namiq Q.; Abdullayeva, Afaq; Atakishiyeva, Gulnar T.; Niyazova, Ayten; Khrustalev, Victor N.; Gahramanova, Shahnaz I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	10
a	7.44 ± 0.0008 Å
b	9.92 ± 0.001 Å
c	11.52 ± 0.0013 Å
α	93.071 ± 0.009°
β	105.349 ± 0.01°
γ	108.879 ± 0.011°
Cell volume	766.71 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1274
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.79313 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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