Crystallography Open Database

Information card for entry 7025861

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Structure parameters

Formula	C17 H15 N O2
Calculated formula	C17 H15 N O2
Title of publication	Structural studies of some push-pull N-arylbenzazoles.
Authors of publication	Crawford, Lynne A.; Ieva, Maria; McNab, Hamish; Parsons, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	30
Pages of publication	7147 - 7152
a	7.3474 ± 0.0006 Å
b	7.917 ± 0.0007 Å
c	23.9413 ± 0.0019 Å
α	90°
β	92.593 ± 0.001°
γ	90°
Cell volume	1391.2 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1045
Goodness-of-fit parameter for all reflections included in the refinement	0.958
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7025861.cif
179964	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/58.	7025861.cif
93343	2014-01-12	cif/ Adding structures of 7025860, 7025861, 7025862, 7025863, 7025864, 7025865 via cif-deposit CGI script.	7025861.cif