Crystallography Open Database

Information card for entry 4503915

Preview

Coordinates	4503915.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	α~1~-Salicylideneaniline
Chemical name	2-(Phenyliminomethyl)phenol
Formula	C13 H11 N O
Calculated formula	C13 H11 N O
Title of publication	Polymorphism inN-Salicylideneaniline Reconsidered
Authors of publication	Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	9
Pages of publication	1679
a	5.9183 ± 0.0015 Å
b	7.1869 ± 0.0016 Å
c	14.295 ± 0.003 Å
α	85.13 ± 0.019°
β	78.03 ± 0.02°
γ	65.8 ± 0.02°
Cell volume	542.5 ± 0.2 Å³
Cell temperature	120 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for all reflections	0.0714
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0634
Goodness-of-fit parameter for all reflections included in the refinement	1.3627
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7256 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4503915.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503915.cif
44812	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4503914, 4503915 via cif-deposit CGI script.	4503915.cif