Crystallography Open Database

Information card for entry 2313074

Preview

Coordinates	2313074.cif
Original IUCr paper	HTML

Structure parameters

Common name	Mirogabalin besylate
Chemical name	[6-(Carboxymethyl)-3-ethylbicyclo[3.2.0]hept-2-en-6-yl]methanaminium benzenesulfonate
Formula	C18 H25 N O5 S
Calculated formula	C18 H25 N O5 S
Title of publication	Mirogabalin, C<sub>12</sub>H<sub>19</sub>NO<sub>2</sub>, and mirogabalin besylate, C<sub>12</sub>H<sub>20</sub>NO<sub>2</sub><sup>+</sup>·C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>S<sup/>.
Authors of publication	Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2026
Journal volume	82
Journal issue	10
a	16.46309 Å
b	9.34335 Å
c	12.6601 Å
α	90°
β	102.27°
γ	90°
Cell volume	1902.9 Å³
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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