Crystallography Open Database

Information card for entry 2016616

2016615 << 2016616 >> 2016617

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Structure parameters

Chemical name	2,2'-dithiodibenzoic acid‒isonicotinohydrazide (1/2)
Formula	C26 H24 N6 O6 S2
Calculated formula	C26 H24 N6 O6 S2
SMILES	c1(ccncc1)C(=O)NN.c1(ccncc1)C(=O)NN.c1(c(cccc1)SSc1c(cccc1)C(=O)O)C(=O)O
Title of publication	Hydrogen-bonded layers in the 1:2 cocrystal of 2,2'-dithiodibenzoic acid with isonicotinohydrazide
Authors of publication	Meng, Xiang-Gao; Xiao, Yi-Long; Zhang, Hang; Zhou, Chun-Shan
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	5
Pages of publication	o261 - o263
a	9.8821 ± 0.0008 Å
b	11.017 ± 0.0009 Å
c	12.2592 ± 0.001 Å
α	83.444 ± 0.001°
β	88.054 ± 0.001°
γ	84.345 ± 0.001°
Cell volume	1319.14 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0867
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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