Crystallography Open Database

Information card for entry 1520184

1520183 << 1520184 >> 1520185

Preview

Coordinates	1520184.cif
External links	PubChem

Structure parameters

Chemical name	N-(3-iodophenyl)acetamide
Formula	C8 H8 I N O
Calculated formula	C8 H8 I N O
SMILES	c1(cc(ccc1)I)NC(=O)C
Title of publication	N-(3-iodophenyl)acetamide
Authors of publication	Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	1376
a	4.9076 ± 0.0005 Å
b	9.7504 ± 0.0008 Å
c	18.6116 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	890.58 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1187
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1520184.cif
137631	2015-06-01	cif/ Adding structures of 1520184 via cif-deposit CGI script.	1520184.cif