Crystallography Open Database

Information card for entry 4300659

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Structure parameters

Formula	C8 H12 I N3
Calculated formula	C8 H12 I N3
SMILES	[I-].N#CCCCn1c[n+](cc1)C
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	7.8633 ± 0.0008 Å
b	7.9248 ± 0.0008 Å
c	9.0394 ± 0.0006 Å
α	87.382 ± 0.007°
β	86.872 ± 0.008°
γ	75.985 ± 0.009°
Cell volume	545.4 ± 0.09 Å³
Cell temperature	140 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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