Crystallography Open Database

Information card for entry 1550832

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Structure parameters

Chemical name	<i>N</i>-[5-(Diphenylamino)penta-2,4-diyn-1-yl]benzamide
Formula	C24 H18 N2 O
Calculated formula	C24 H18 N2 O
SMILES	O=C(NCC#CC#CN(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	A triclinic polymorph of N-[5-(diphenylamino)penta-2,4-diyn-1-yl]benzamide
Authors of publication	Ozaki, Koji; Okuno, Tsunehisa
Journal of publication	IUCrData
Year of publication	2019
Journal volume	4
Journal issue	4
a	5.033 ± 0.005 Å
b	11.682 ± 0.01 Å
c	15.433 ± 0.015 Å
α	96.228 ± 0.019°
β	91.207 ± 0.014°
γ	94.27 ± 0.02°
Cell volume	899.1 ± 1.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.086
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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