Crystallography Open Database

Information card for entry 7227362

Preview

Coordinates	7227362.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ethenzamide-24Dihydroxybenzoic acid
Formula	C16 H16 N O6
Calculated formula	C16 H16 N O6
Title of publication	Crystal structure landscape of ethenzamide: a physicochemical property study
Authors of publication	Sarmah, Kashyap Kumar; Boro, Kaveri; Arhangelskis, Mihails; Thakuria, Ranjit
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	5
Pages of publication	826
a	9.6638 ± 0.0017 Å
b	6.6901 ± 0.0011 Å
c	24.67 ± 0.004 Å
α	90°
β	99.732 ± 0.008°
γ	90°
Cell volume	1572 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0729
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
191570 (current)	2017-02-04	cif/ Updating files of 7227362, 7227363, 7227364, 7227365 Original log message: Adding full bibliography for 7227362--7227365.cif.	7227362.cif
189932	2017-01-06	cif/ Adding structures of 7227362, 7227363, 7227364, 7227365 via cif-deposit CGI script.	7227362.cif