Crystallography Open Database

Information card for entry 7250097

Preview

Coordinates	7250097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 N2
Calculated formula	C6 H7 N2
Title of publication	Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives
Authors of publication	Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	14
Pages of publication	2204 - 2222
a	9.6385 ± 0.0019 Å
b	7.4706 ± 0.0015 Å
c	7.7536 ± 0.0016 Å
α	90°
β	95.69 ± 0.03°
γ	90°
Cell volume	555.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0924
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.0455
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298846 (current)	2025-04-05	cif/ Updating files of 7250097 Original log message: Adding full bibliography for 7250097.cif.	7250097.cif
298386	2025-03-12	cif/ Adding structures of 7250097 via cif-deposit CGI script.	7250097.cif