The First Structurally Characterized Salts of Deprotonated Urea: M(CN2H3O) with M = Na, K, Rb, and Cs†
The First Structurally Characterized Salts of Deprotonated Urea: M(CN2H3O) with M = Na, K, Rb, and Cs†
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第一个具有结构特征的去质子化尿素盐：M(CN2H3O)，其中 M = Na、K、Rb 和 Cs†
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发表时间：
2014
期刊：
影响因子：
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通讯作者：
R. Dronskowski
中科院分区：
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作者：
Hannah Sawinski;R. Dronskowski
在低于50 °C的温度下，由尿素和碱金属在液氨中合成碱金属Na-Cs的脲酸盐。晶体结构用单晶X-射线衍射测定。NaCN_2 H_3 O属于单斜晶系[P_（21）/c，Z = 16，a = 17.529（1）A，B = 6.4784（5）A，c = 10.8211（9）A，β = 96.938（1）°]。所有其他脲酸盐均为正交晶系，KCN 2 H3 O和RbCN 2 H3 O为同型[Pbca，Z = 8，KCN 2 H3 O：a = 7.102（4）A，B = 7.221（4）A，c = 13.533（8）A; RbCN 2 H3 O：a = 7.1973（8）A，B = 7.3531（8）A，c = 13.921（2）A]。CsCN_2 H_3 O的晶胞较小[P_（212121），Z = 4，a = 6.3520（3）A，B = 7.1645（4）A，c = 9.0911（5）A]。K、Rb和Cs的脲酸盐含有氢键网络，亚氨基氮原子在CsCN 2 H3 O中充当氢键受体。然而，在KCN 2 H3 O和RbCN 2 H3 O中，羰基氧原子接受氢键。
The ureates of the alkali metals Na – Cs were synthesized from urea and the metals in liquid ammonia at temperatures below 50 °C. The crystal structures were determined using single-crystal X-ray diffraction. NaCN2H3O crystallizes in the monoclinic system [P21/c, Z = 16, a = 17.529(1) A, b = 6.4784(5) A, c = 10.8211(9) A, β = 96.938(1)°]. All other ureates are orthorhombic, with KCN2H3O and RbCN2H3O being isotypic [Pbca, Z = 8, KCN2H3O: a = 7.102(4) A, b = 7.221(4) A, c = 13.533(8) A; RbCN2H3O: a = 7.1973(8) A, b = 7.3531(8) A, c = 13.921(2) A]. CsCN2H3O adopts a smaller unit cell [P212121, Z = 4, a = 6.3520(3) A, b = 7.1645(4) A, c = 9.0911(5) A]. The ureates of K, Rb, and Cs contain hydrogen-bond networks, the imino nitrogen atom acting as the hydrogen-bond acceptor in CsCN2H3O. In KCN2H3O and RbCN2H3O, however, the carbonyl oxygen atom accepts the hydrogen bonds.