Crystallography Open Database

Information card for entry 2100963

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Coordinates	Coordinates are not available: file is not found.
Original IUCr paper	HTML

Structure parameters

Formula	C13 H21 N5 O2
Calculated formula	C13 H21 N5 O2
SMILES	N#C/N=C(/NCCCCc1ccc(cn1)OC)NC.O
Title of publication	Structures of nine histamine H~2~ antagonists related to <i>N</i>-cyano-<i>N</i>'-methyl-<i>N</i>''-[4-(2-pyridyl)butyl]guanidine
Authors of publication	Prout, K.; Burns, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Sach, G. S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	3
Pages of publication	547 - 559
a	7.7 ± 0.001 Å
b	9.331 ± 0.001 Å
c	10.767 ± 0.001 Å
α	78.52 ± 0.01°
β	85.56 ± 0.01°
γ	76.46 ± 0.01°
Cell volume	736.66 ± 0.15 Å³
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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