Crystallography Open Database

Information card for entry 1519900

1519899 << 1519900 >> 1519901

Preview

Coordinates	1519900.cif
External links	PubChem

Structure parameters

Chemical name	N-(3-chlorophenyl)acetamide
Formula	C8 H8 Cl N O
Calculated formula	C8 H8 Cl N O
SMILES	c1(cc(ccc1)Cl)NC(=O)C
Title of publication	N-(3-chlorophenyl)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	1379
a	4.7667 ± 0.0001 Å
b	18.4984 ± 0.0004 Å
c	18.6318 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1642.88 ± 0.06 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	0.0401
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519900.cif
137233	2015-05-22	cif/ Adding structures of 1519900 via cif-deposit CGI script.	1519900.cif