Crystallography Open Database

Information card for entry 7155456

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Structure parameters

Formula	C25 H21 N S
Calculated formula	C25 H21 N S
SMILES	s1c(ccc1)C(=N\C(c1ccccc1)Cc1ccccc1)\c1ccccc1
Title of publication	Stereodynamics and edge-to-face CH-π aromatic interactions in imino compounds containing heterocyclic rings.
Authors of publication	González-Rosende, M Eugenia; Castillo, Encarna; Jennings, W. Brian; Malone, John F.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2017
Journal volume	15
Journal issue	6
Pages of publication	1484 - 1494
a	32.437 ± 0.005 Å
b	7.6263 ± 0.0017 Å
c	33.681 ± 0.006 Å
α	90°
β	98.332 ± 0.014°
γ	90°
Cell volume	8244 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1883
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1764
Weighted residual factors for all reflections included in the refinement	0.2394
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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