Crystallography Open Database

Information card for entry 7052831

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Structure parameters

Chemical name	N-(2-pyridyl)amino-1-phenyloethanol
Formula	C13 H14 N2 O
Calculated formula	C13 H14 N2 O
SMILES	c1(ccccn1)NC[C@@H](c1ccccc1)O
Title of publication	Engineering N-(2-pyridyl)aminoethyl alcohols as potential precursors of thermolabile protecting groups
Authors of publication	Chmielewski, Marcin K.; Tykarska, Ewa; Markiewicz, Wojciech T.; Rypniewski, Wojciech
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	603
a	6.048 ± 0.0012 Å
b	7.315 ± 0.0015 Å
c	24.334 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1076.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0449
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1238
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.8162 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7052831.cif
180082	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052831.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052831.cif
37623	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052829, 7052830, 7052831, 7052832, 7052833 via cif-deposit CGI script.	7052831.cif