Crystallography Open Database

Information card for entry 2000189

2000188 << 2000189 >> 2000190

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Coordinates	2000189.cif
Original IUCr paper	HTML

Structure parameters

Formula	C29 H24 N2 O2 S
Calculated formula	C29 H24 N2 O2 S
SMILES	N#Cc1c(ccc2c1N(Cc1ccccc1)c1c(S2)cccc1)Cc1ccc(c(c1)OC)OC
Title of publication	Structure of 10-benzyl-2-[(3,4-dimethoxyphenyl)methyl]phenothiazine-1-carbonitrile
Authors of publication	Zhang, H.; Self, J.; Khanapure, S. P.; Biehl, E.
Journal of publication	Acta Crystallographica Section C
Year of publication	1991
Journal volume	47
Journal issue	11
Pages of publication	2465 - 2466
a	9.967 ± 0.003 Å
b	10.912 ± 0.003 Å
c	12.258 ± 0.003 Å
α	71.07 ± 0.02°
β	67.26 ± 0.02°
γ	75.61 ± 0.02°
Cell volume	1151.4 ± 0.6 Å³
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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