Crystallography Open Database

Information card for entry 2021915

2021914 << 2021915 >> 2021916

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Coordinates	2021915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N2 O3
Calculated formula	C13 H14 N2 O3
Title of publication	Supramolecular heterosynthon assemblies of ortho-phenylenediamine with substituted aromatic carboxylic acids
Authors of publication	Mishra, Risha; Pallepogu, Raghavaiah
Journal of publication	Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Year of publication	2018
Journal volume	74
Journal issue	1
Pages of publication	32
a	4.7832 ± 0.0007 Å
b	11.6783 ± 0.0017 Å
c	21.859 ± 0.003 Å
α	90°
β	93.999 ± 0.002°
γ	90°
Cell volume	1218.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.15 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	0.0583
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.131
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
246118 (current)	2019-12-26	cif/ Adding structures of 2021914, 2021915, 2021916, 2021917, 2021918 via cif-deposit CGI script.	2021915.cif