Crystallography Open Database

Information card for entry 7245779

Preview

Coordinates	7245779.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol
Chemical name	5-(diethylamino)-2-((E)-((E)-((2-hydroxyphenyl)(phenyl)methylene) hydrazono)methyl)phenol
Formula	C24 H25 N3 O2
Calculated formula	C24 H25 N3 O2
Title of publication	ESIPT geometrical isomers with distinct mechanofluorochromism and intra/intermolecular H-bonding controlled tunable fluorescence
Authors of publication	Gayathri, Parthasarathy; Ravi, Sasikala; Akshaya, K.; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip
Journal of publication	CrystEngComm
Year of publication	2022
a	12.462 ± 0.003 Å
b	8.131 ± 0.0016 Å
c	21.551 ± 0.004 Å
α	90°
β	104.18 ± 0.03°
γ	90°
Cell volume	2117.2 ± 0.8 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 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	0.0824
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for significantly intense reflections	0.246
Weighted residual factors for all reflections included in the refinement	0.2547
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
279162 (current)	2022-11-10	cif/ Adding structures of 7245774, 7245775, 7245776, 7245777, 7245778, 7245779 via cif-deposit CGI script.	7245779.cif