Crystallography Open Database

Information card for entry 7060962

Preview

Coordinates	7060962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O S
Calculated formula	C3.75 H3.375 N0.375 O0.25 S0.125
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	10.3342 ± 0.0016 Å
b	11.9217 ± 0.0019 Å
c	12.426 ± 0.0016 Å
α	115.186 ± 0.004°
β	111.605 ± 0.004°
γ	92.28 ± 0.006°
Cell volume	1252.4 ± 0.3 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0813
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.2109
Weighted residual factors for all reflections included in the refinement	0.2199
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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