Crystallography Open Database

Information card for entry 7251400

Preview

Coordinates	7251400.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Aminocaproic acid oxalate hemi trihydrate
Formula	C16 H36 N2 O15
Calculated formula	C16 H36 N2 O15
Title of publication	Structural insights into the multi-component solid forms of aminocaproic acid and aminomethyl benzoic acid: mechanochemical approach for the preparation of salt forms
Authors of publication	Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar
Journal of publication	CrystEngComm
Year of publication	2026
a	30.203 ± 0.004 Å
b	5.6916 ± 0.0008 Å
c	14.254 ± 0.002 Å
α	90°
β	99.433 ± 0.006°
γ	90°
Cell volume	2417.2 ± 0.6 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1188
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
304020 (current)	2025-12-04	cif/ Adding structures of 7251393, 7251394, 7251395, 7251396, 7251397, 7251398, 7251399, 7251400, 7251401, 7251402, 7251403 via cif-deposit CGI script.	7251400.cif