Crystallography Open Database

Information card for entry 7241682

Preview

Coordinates	7241682.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-nitrobenzylidene methanamine
Chemical name	3-nitrobenzylidene methanamine
Formula	C8 H8 N2 O2
Calculated formula	C8 H8 N2 O2
SMILES	N(=O)(=O)c1cc(ccc1)/C=N/C
Title of publication	Stable carbamate pathway towards organic‒inorganic hybrid perovskites and aromatic imines
Authors of publication	Lee, Kyu Hyung; Kim, Sun Joo; Park, Hee Sun; Lim, Byung Wook; Lee, Byeongno; Park, Young Jun; Nam, Wonwoo; Hur, Nam Hwi
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	62
Pages of publication	38055 - 38062
a	7.4527 ± 0.0002 Å
b	18.3181 ± 0.0004 Å
c	11.3999 ± 0.0002 Å
α	90°
β	90.869 ± 0.001°
γ	90°
Cell volume	1556.13 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0518
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259588 (current)	2020-12-06	cif/ Adding structures of 7241681, 7241682 via cif-deposit CGI script.	7241682.cif