Crystallography Open Database

Information card for entry 2243512

Preview

Coordinates	2243512.cif
Structure factors	2243512.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone
Formula	C32 H28 N2 O
Calculated formula	C32 H28 N2 O
SMILES	C1CN[C@]2(C[C@@H](C(=C(c3ccccc3)N12)C(=O)c1ccccc1)c1ccccc1)c1ccccc1.C1CN[C@@]2(C[C@H](C(=C(c3ccccc3)N12)C(=O)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-<i>a</i>]pyridin-6-yl)methanone with an unknown solvent
Authors of publication	Naghiyev, Farid N.; Mammadova, Gunay Z.; Mamedov, Ibrahim G.; Huseynova, Afet T.; Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Akobirshoeva, Anzurat A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	8
Pages of publication	1365 - 1368
a	8.7807 ± 0.0009 Å
b	11.9566 ± 0.0012 Å
c	12.9121 ± 0.0013 Å
α	77.982 ± 0.001°
β	78.711 ± 0.001°
γ	75.612 ± 0.001°
Cell volume	1269.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
254585 (current)	2020-07-25	cif/ hkl/ Adding structures of 2243512 via cif-deposit CGI script.	2243512.cif 2243512.hkl