Crystallography Open Database

Information card for entry 7126305

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Coordinates	7126305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H16 N2 O4
Calculated formula	C11 H16 N2 O4
Title of publication	Conformational control of N-methyl-N,N'-diacylhydrazines by noncovalent carbon bonding in solution.
Authors of publication	Deka, Jugal Kishore Rai; Sahariah, Biswajit; Baruah, Kalpita; Bar, Arun Kumar; Sarma, Bani Kanta
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	36
Pages of publication	4874 - 4877
a	6.8265 ± 0.0012 Å
b	7.2475 ± 0.0013 Å
c	13.022 ± 0.002 Å
α	87.473 ± 0.005°
β	79.192 ± 0.006°
γ	79.227 ± 0.005°
Cell volume	621.65 ± 0.18 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.09 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	0.0777
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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