{4(<i>S</i>)-(Piperidin-1-ylcarbonyl)-4-[3-(trifluoromethyl)phenylsulfonamido]butyl}guanidinium chloride: a model of a graftable thrombin inhibitor

Michaux, Catherine; Salvagnini, Claudio; Norberg, Bernadette; Marchand‐Brynaert, Jacqueline

doi:10.1107/s0108270106047640

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“…For the crystal structure of an analogous sulfonamide compound, see: Michaux et al (2006). For related literature, see: Winum et al (2005).…”

Section: Related Literaturementioning

confidence: 99%

2-(Hydrazinocarbonyl)benzenesulfonamide

Wang¹,

Guo²,

Ma³

2007

Acta Cryst E

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Key indicators: single-crystal X-ray study; T = 113 K; mean (C-C) = 0.002 Å; R factor = 0.026; wR factor = 0.071; data-to-parameter ratio = 14.0.In the title compound, C 7 H 9 N 3 O 3 S, the chiral conformation of the molecule is determined by an intramolecular N-HÁ Á ÁO hydrogen bond between the sulfonamide and hydrazinocarbonyl groups, with the former group acting as a donor in hydrogen bonding. The crystal structure is stabilized by intermolecular N-HÁ Á ÁO and N-HÁ Á ÁN hydrogen bonds and stacking interactions between the benzene rings [the interplanar distance is 3.755 (3) Å ]. Related literatureFor the crystal structure of an analogous sulfonamide compound, see: Michaux et al. (2006). For related literature, see: Winum et al. (2005).Experimental Crystal data C 7 H 9 N 3 O 3 S M r = 215.23 Monoclinic, C2=c a = 11.857 (2) Å b = 11.562 (2) Å c = 13.840 (3) Å = 111.72 (3) V = 1762.6 (6) Å 3 Z = 8 Mo K radiation = 0.35 mm À1 T = 113 (2) K 0.24 Â 0.20 Â 0.20 mm Data collection Rigaku Saturn diffractometer Absorption correction: multi-scan (Jacobson, 1998) T min = 0.902, T max = 0.932 10255 measured reflections 2057 independent reflections 1878 reflections with I > 2(I) R int = 0.021

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“…For the crystal structure of an analogous sulfonamide compound, see: Michaux et al (2006). For related literature, see: Winum et al (2005).…”

Section: Related Literaturementioning

confidence: 99%