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Crystal structure of allyl­ammonium hydrogen succinate at 100 K

机译:烯丙基­琥珀酸氢铵在100 K下的晶体结构

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摘要

The asymmetric unit of the title compound, C2H8N+·C4H5O4 , consists of two allyl­ammonium cations and two hydrogen succinate anions (Z′ = 2). One of the cations has a near-perfect syn-periplanar (cis) conformation with an N—C—C—C torsion angle of 0.4 (3)°, while the other is characterized by a gauche conformation and a torsion angle of 102.5 (3)°. Regarding the anions, three out of four carboxilic groups are twisted with respect to the central C–CH2–CH2–C group [dihedral angles = 24.4 (2), 31.2 (2) and 40.4 (2)°], the remaining one being instead almost coplanar, with a dihedral angle of 4.0 (2)°. In the crystal, there are two very short, near linear O—H⋯O hydrogen bonds between anions, with the H atoms shifted notably from the donor O towards the O⋯O midpoint. These O—H⋯O hydrogen bonds form helical chains along the [011] which are further linked to each other through N—H⋯O hydrogen bonds (involving all the available NH groups), forming layers lying parallel to (100).
机译:标题化合物C2H8N + ·C4H5O4 -的不对称单元由两个烯丙基­铵阳离子和两个琥珀酸氢根阴离子(Z'= 2)组成。其中一个阳离子具有接近完美的正周平面(cis)构型,且N-CC扭转角为0.4(3)°,而另一个则具有Gauche构型且扭转角为102.5°( 3)°。关于阴离子,四个羧基组中的三个相对于中央C–CH2-CH2-C组[二面角分别为24.4°(2),31.2°(2)和40.4°(2)°)扭曲。反而几乎是共面的,二面角为4.0(2)°。在晶体中,阴离子之间有两个非常短的,近乎线性的OH = O氢键,其中H原子从供体O向O = O中点转移。这些OH-O = O氢键沿着[011]形成螺旋链,它们通过NH-OH氢键(包含所有可用的NH基团)进一步相互连接,形成平行于(100)的层。

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