Chadeayne Andrew R, Pham Duyen N K, Golen James A, Manke David R
CaaMTech, LLC, 58 East Sunset Way, Suite 209, Issaquah, WA 98027, USA.
University of Massachusetts Dartmouth, 285 Old Westport Road, North Dartmouth, MA 02747, USA.
Acta Crystallogr E Crystallogr Commun. 2020 Mar 10;76(Pt 4):514-517. doi: 10.1107/S2056989020002923. eCollection 2020 Apr 1.
The title compound, bis-(4-hy-droxy--isopropyl--methyl-tryptammonium) (4-HO-MiPT) fumarate (systematic name: bis-{2-(4-hy-droxy-1-indol-3-yl)eth-ylpropan-2-yl-aza-nium} but-2-enedioate), 2CHNO·CHO , has a singly protonated tryptammonium cation and one half of a fumarate dianion in the asymmetric unit. The tryptammonium and fumarate ions are held together in one-dimensional chains by N-H⋯O and O-H⋯O hydrogen bonds. These chains are a combination of (20) rings, and (15) and (30) parallel chains along (110). They are further consolidated by N-H⋯π inter-actions. There are two two-component types of disorder impacting the tryptammonium fragment with a 0.753 (7):0.247 (7) occupancy ratio and one of the fumarate oxygen atoms with a 0.73 (8):0.27 (8) ratio.
标题化合物，富马酸双 -（4 - 羟基 - N - 异丙基 - N - 甲基 - 色胺铵）（4 - HO - MiPT）（系统名称：双-{[2 -（4 - 羟基 - 1 - 吲哚 - 3 - 基）乙基]（甲基）丙 - 2 - 基 - 氮鎓}丁 - 2 - 烯二酸），2C₁₃H₂₀N₂O·C₄H₄O₄，在不对称单元中具有一个单质子化的色胺铵阳离子和半个富马酸二阴离子。色胺铵离子和富马酸离子通过N - H⋯O和O - H⋯O氢键在一维链中结合在一起。这些链是（20）环、（15）和（30）沿（110）方向的平行链的组合。它们通过N - H⋯π相互作用进一步巩固。存在两种影响色胺铵片段的两组分无序类型，占有率比为0.753（7）:0.247（7），以及一种富马酸氧原子，占有率比为0.73（8）:0.27（8）。
