Crystallography Open Database

Information card for entry 7248206

Preview

Coordinates	7248206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O
Calculated formula	C18 H14 N2 O
SMILES	O=C(N/N=C/c1c2c(ccc1)cccc2)c1ccccc1
Title of publication	The photomechanical bending and photosalient effect of flexible crystals of an acylhydrazone
Authors of publication	Hazarika, Pragyan J.; Gupta, Poonam; Allu, Suryanarayana; Nath, Naba K.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	12
Pages of publication	1671 - 1676
a	5.0509 ± 0.0005 Å
b	12.397 ± 0.0014 Å
c	22.448 ± 0.002 Å
α	90°
β	93.489 ± 0.008°
γ	90°
Cell volume	1403 ± 0.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 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	0.1341
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.0255
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
290905 (current)	2024-04-05	cif/ Updating files of 7248206 Original log message: Adding full bibliography for 7248206.cif.	7248206.cif
289917	2024-02-22	cif/ Adding structures of 7248206 via cif-deposit CGI script.	7248206.cif