Crystallography Open Database

Information card for entry 2300660

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Structure parameters

Formula	C15 H15 N O
Calculated formula	C15 H15 N O
SMILES	O=C(c1ccccc1)NCc1ccc(cc1)C
Title of publication	An insight into the synthesis, crystal structure, geometrical modelling of crystal morphology, Hirshfeld surface analysis and characterization ofN-(4-methylbenzyl)benzamide single crystals
Authors of publication	Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Rao, Devarapalli Chenna; Gopalaiah, Kovuru; Kumar, Binay
Journal of publication	Journal of Applied Crystallography
Year of publication	2017
Journal volume	50
Journal issue	5
Pages of publication	1498
a	9.5277 ± 0.0008 Å
b	11.1555 ± 0.0011 Å
c	11.7848 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1252.56 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1902
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301808 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/30 Each referenced PubChem compound corresponds to the full crystal structure.	2300660.cif
246053	2019-12-26	cif/ Adding structures of 2300660 via cif-deposit CGI script.	2300660.cif