Crystallography Open Database

Information card for entry 7250774

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Coordinates	7250774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N2 O
Calculated formula	C12 H12 N2 O
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	9.2232 ± 0.001 Å
b	14.7495 ± 0.0015 Å
c	7.6284 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1037.75 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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