Crystallography Open Database

Information card for entry 7239698

Preview

Coordinates	7239698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 N O2 S
Calculated formula	C21 H31 N O2 S
Title of publication	Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals
Authors of publication	Voronin, Alexander P.; Volkova, Tatyana V.; Ilyukhin, Andrey B.; Proshin, Alexey N.; Perlovich, German L.
Journal of publication	CrystEngComm
Year of publication	2020
Journal volume	22
Journal issue	2
Pages of publication	349 - 360
a	10.5236 ± 0.0003 Å
b	13.9711 ± 0.0004 Å
c	14.1761 ± 0.0004 Å
α	78.441 ± 0.001°
β	85.252 ± 0.001°
γ	73.432 ± 0.001°
Cell volume	1956.48 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0652
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257469 (current)	2020-10-06	cif/ Updating files of 7239687, 7239688, 7239689, 7239690, 7239691, 7239692, 7239693, 7239694, 7239695, 7239696, 7239697, 7239698, 7239699 Original log message: Adding full bibliography for 7239687--7239699.cif.	7239698.cif
246367	2020-01-01	cif/ Adding structures of 7239687, 7239688, 7239689, 7239690, 7239691, 7239692, 7239693, 7239694, 7239695, 7239696, 7239697, 7239698, 7239699 via cif-deposit CGI script.	7239698.cif