Crystallography Open Database

Information card for entry 8101015

Preview

Coordinates	8101015.cif

Structure parameters

Formula	C17 H25 N O4 S
Calculated formula	C17 H25 N O4 S
SMILES	S(=O)(=O)(N[C@H]1O[C@@H](OC=C1CC)C(C)(C)C)c1ccc(cc1)C.S(=O)(=O)(N[C@@H]1O[C@H](OC=C1CC)C(C)(C)C)c1ccc(cc1)C
Title of publication	Crystal structure of N-(2-tert-butyl-5-ethyl-4H-1,3-dioxin-4-yl)-4- methyl-benzenesulfonamide, C~17~H~25~NO~4~S
Authors of publication	Wattenbach, Carsten; Flock, Susanne; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2001
Journal volume	216
Journal issue	3
Pages of publication	401 - 402
a	9.5315 ± 0.0007 Å
b	10.661 ± 0.002 Å
c	18.153 ± 0.002 Å
α	90°
β	93.659 ± 0.008°
γ	90°
Cell volume	1840.9 ± 0.4 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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