Crystallography Open Database

Information card for entry 4519352

4519351 << 4519352 >> 4519353

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Coordinates	4519352.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol
Formula	C15 H15 N O
Calculated formula	C15 H15 N O
SMILES	Oc1ccc(/C=N/c2c(cc(cc2)C)C)cc1
Title of publication	Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.
Authors of publication	Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham
Journal of publication	ACS omega
Year of publication	2022
Journal volume	7
Journal issue	6
Pages of publication	5217 - 5230
a	10.631 ± 0.002 Å
b	13.873 ± 0.003 Å
c	8.6997 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1283.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1173
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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