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Ammonium hydrogen bis--[4-(2-phenyl-2H-tetra-zol-5-yl)benzoate]

机译:双[4-(2-苯基-2H-四唑-5-基)苯甲酸氢铵]

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The title salt, NH4+·H+·2C14H9N4O2?, is composed of an ammonium cation with a strong inter-molecular negatively charge-assisted hydrogen-bonded acid/conjugate base-pair monoanion. The carb-oxy-lic acid H atom is located on an inversion center, while the N atom of the ammonium cation is located on a twofold rotation axis. In the crystal, the N—H bonds of each ammonium cation act as donors with carboxyl-ate O-atom acceptors to form chains along the?a-axis direction. The chains are linked by offset?π–π?inter-actions [inter-centroid distances = 3.588?(2) and 3.686?(2)??], forming layers parallel to the?ab?plane.
机译:标题盐NH 4 +·H +·2C 14 H 9 N 4 O 2,由铵阳离子和强的带负电荷的氢键结合的氢键酸/共轭碱对单阴离子组成。碳氧酸H原子位于反转中心,而铵阳离子的N原子位于2倍旋转轴上。在晶体中,每个铵阳离子的N-H键与羧基的O-原子受体一起作为给体,沿a轴方向形成链。链通过偏移π-π相互作用(质心间距离=3.588π(2)和3.686π(2)π)连接,形成平行于α平面的层。

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