Crystallography Open Database

Information card for entry 7250773

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Coordinates	7250773.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 N4 O2
Calculated formula	C10 H12 N4 O2
Title of publication	π-Stacked organic frameworks with captured ammonia for benzamide synthesis
Authors of publication	Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	36
Pages of publication	6074 - 6078
a	9.9196 ± 0.0019 Å
b	4.7031 ± 0.0008 Å
c	11.861 ± 0.002 Å
α	90°
β	96.888 ± 0.008°
γ	90°
Cell volume	549.36 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0393
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0965
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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