Crystallography Open Database

Information card for entry 2101116

Preview

Coordinates	2101116.cif
Original IUCr paper	HTML

Structure parameters

Formula	C19 H22 Br N5 O S
Calculated formula	C19 H22 Br N5 O S
Title of publication	Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists
Authors of publication	Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S.
Journal of publication	Acta Crystallographica Section B
Year of publication	1994
Journal volume	50
Journal issue	2
Pages of publication	221 - 243
a	36.293 ± 0.007 Å
b	4.826 ± 0.002 Å
c	11.528 ± 0.003 Å
α	90°
β	96.91 ± 0.02°
γ	90°
Cell volume	2004.5 ± 1.1 Å³
Number of distinct elements	6
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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