Crystallography Open Database

Information card for entry 7159860

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Coordinates	7159860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 N4 S
Calculated formula	C12 H10 N4 S
Title of publication	Synthetic Access to Diverse Thiazetidines via One-Pot Microwave Assisted Telescopic Approach and its Interaction with Biomolecules
Authors of publication	Ramdas, Nishanth; Das, Soumyadip; Jacob, Kezia; Alam, M. Mujahid; Balamurali, M. M.; Chanda, Kaushik
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2024
a	9.7029 ± 0.0007 Å
b	10.6515 ± 0.0007 Å
c	11.9141 ± 0.0008 Å
α	77.212 ± 0.002°
β	73.407 ± 0.002°
γ	74.174 ± 0.002°
Cell volume	1121.49 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0428
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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