Crystallography Open Database

Information card for entry 7060963

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Coordinates	7060963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H Cl N O S
Calculated formula	C4.83333 H4 Cl0.166667 N0.5 O0.333333 S0.166667
Title of publication	The facile and efficient synthesis of novel monocyclic cis-β-lactam conjugates with a 1-methyl-1H-imidazole-2-thiol nucleus
Authors of publication	Singh, Vedeshwar Narayan; Sharma, Sitaram
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	41
Pages of publication	19347 - 19357
a	10.44 ± 0.003 Å
b	11.519 ± 0.003 Å
c	12.207 ± 0.003 Å
α	112.745 ± 0.01°
β	91.875 ± 0.01°
γ	106.279 ± 0.009°
Cell volume	1282.9 ± 0.6 Å³
Cell temperature	232 ± 2 K
Ambient diffraction temperature	232 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0845
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for significantly intense reflections	0.2039
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.332
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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