Crystallography Open Database

Information card for entry 8107355

Preview

Coordinates	8107355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H15 N5 O2
Calculated formula	C10 H15 N5 O2
Title of publication	The crystal structure of ethyl 7-ethyl-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate, C10H15N5O2
Authors of publication	Wang, Wenxiang; Mou, Jiahui; Sun, Yue
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	1
Pages of publication	69 - 70
a	8.0501 ± 0.0016 Å
b	8.6163 ± 0.0017 Å
c	9.6654 ± 0.0019 Å
α	69.74 ± 0.03°
β	75.79 ± 0.03°
γ	87.43 ± 0.03°
Cell volume	609.1 ± 0.3 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	0.1058
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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