Crystallography Open Database

Information card for entry 2023299

2023298 << 2023299 >> 2023300

Preview

Coordinates	2023299.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-{4-[(2-Chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-<i>N</i>-phenylacetamide
Formula	C20 H18 Cl N3 O2
Calculated formula	C20 H18 Cl N3 O2
Title of publication	Synthesis, crystal structure and Hirshfeld surface analysis of 2-{4-[(2-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl}-N-phenylacetamide
Authors of publication	Assila, Hamza; Zaoui, Younes; Kalonji Mubengayi, Camille; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef; Ansar, Mhammed
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1221 - 1225
a	10.1898 ± 0.0006 Å
b	6.7445 ± 0.0004 Å
c	14.2538 ± 0.0011 Å
α	90°
β	110.901 ± 0.002°
γ	90°
Cell volume	915.13 ± 0.1 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295712 (current)	2024-11-01	cif/ Adding structures of 2023299 via cif-deposit CGI script.	2023299.cif