Crystallography Open Database

Information card for entry 2300270

Preview

Coordinates	2300270.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-amino-4,5-dimethoxyacetophenone
Formula	C10 H13 N O3
Calculated formula	C10 H13 N O3
SMILES	COc1cc(C(=O)C)c(cc1OC)N
Title of publication	<i>PSSP</i>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data
Authors of publication	Pagola, Silvina; Stephens, Peter W.
Journal of publication	Journal of Applied Crystallography
Year of publication	2010
Journal volume	43
Journal issue	2
Pages of publication	370 - 376
a	13.00247 ± 0.00008 Å
b	6.86966 ± 0.00004 Å
c	11.51889 ± 0.00005 Å
α	90°
β	108.329 ± 0.0003°
γ	90°
Cell volume	976.695 ± 0.009 Å³
Cell temperature	298 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
RFsqd	0.09996
Residual factor R(I) for significantly intense reflections	0.0838
Goodness-of-fit parameter for all reflections	1.7
Method of determination	powder diffraction
Diffraction radiation wavelength	1.1499 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2300270.cif
120072	2014-07-11	Adding DOIs to range 2 structures.	2300270.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2300270.cif
1146	2010-05-03	cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition.	2300270.cif