Crystallography Open Database

Information card for entry 2000198

2000197 << 2000198 >> 2000199

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Coordinates	2000198.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H22 N4
Calculated formula	C12 H22 N4
SMILES	C1CCNC(=N\N=C2\CCCCCN2)/CC1
Title of publication	Structure of 2-azacycloheptanone azine
Authors of publication	Small, R. W. H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	11
Pages of publication	2505 - 2506
a	10.8 ± 0.01 Å
b	6 ± 0.01 Å
c	5.41 ± 0.005 Å
α	113.16 ± 0.06°
β	77.21 ± 0.05°
γ	92.84 ± 0.07°
Cell volume	314 ± 0.7 Å³
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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