Crystallography Open Database

Information card for entry 7229424

Preview

Coordinates	7229424.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H33 N O16
Calculated formula	C30 H33 N O16
SMILES	OC(=O)c1cc(cc(O)c1)O.O(CC)c1ccccc1C(=O)N.O=C(O)c1cc(O)cc(O)c1.OC(=O)c1cc(cc(O)c1)O.O.O
Title of publication	Solubility and In-vitro Drug Permeation Behaviour of Ethenzamide Cocrystals Regulated at Physiological pH Environments
Authors of publication	Sarma, Bipul; Khatioda, Rajiv; Saikia, Basanta; Das, Pranab Jyoti
Journal of publication	CrystEngComm
Year of publication	2017
a	11.278 ± 0.011 Å
b	11.819 ± 0.009 Å
c	12.258 ± 0.01 Å
α	95.27 ± 0.03°
β	102.49 ± 0.04°
γ	100.87 ± 0.04°
Cell volume	1552 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1583
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1943
Goodness-of-fit parameter for all reflections included in the refinement	0.912
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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