Crystal and Molecular Structure of B-Phenyl-diptychboroxazolidine,
Crystal and Molecular Structure of B-Phenyl-diptychboroxazolidine,
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B-苯基-二联硼恶唑烷的晶体和分子结构，
DOI：
10.1139/v75-193
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发表时间：
1975
期刊：
影响因子：
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通讯作者：
J. Trotter
中科院分区：
文献类型：
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作者：
S. Rettig;J. Trotter
b -苯基-二甲基硼恶唑烷晶体为单斜晶型，a = 8.4977(4), b = 9.0617(5), c = 7.0105(3) a, β = 111.627(3)°，Z = 2，空间群P21。对967个I≥3σ(I)的反射波采用直接法求解，并采用全矩阵最小二乘法进行优化，最终R值为0.040。涉及非氢原子的键长已根据热运动进行了修正。债券的长度是:这,1.460(3)和1.474 (3),b n, 1.666 (3), C, 1.613(3),切断,1.411(3)和1.419(3),碳氮,1.485(3)和1.486 (3),C (sp3) - C (sp3), 1.514(4)和1.524(4),碳碳(ar), 1.384 - -1.400(4 - 6),意思是碳氢键,0.98 (4),0.87 (5)- h。晶体结构由离散的b -苯基-二联苯硼恶唑烷分子组成，每个分子通过N - h…O氢键（O…N = 2.914(3) A）与另外两个分子相连，沿b形成连续的螺旋结构。
Crystals of B-phenyl-dictychboroxazolidine are monoclinic, a = 8.4977(4), b = 9.0617(5), c = 7.0105(3) A, β = 111.627(3)°, Z = 2, space group P21. The structure was solved by direct methods and was refined by full-matrix least squares procedures to a final R of 0.040 for 967 reflections with I ≥ 3σ(I). The bond lengths involving nonhydrogen atoms have been corrected for thermal motion. Bond lengths are: B—O, 1.460(3) and 1.474(3), B—N, 1.666(3), B—C, 1.613(3), C—O, 1.411(3) and 1.419(3), C—N, 1.485(3) and 1.486(3), C(sp3)—C(sp3), 1.514(4) and 1.524(4), C—C(ar), 1.384–1.400(4–6), mean C—H, 0.98(4), and N—H, 0.87(5) A. The crystal structure consists of discrete molecules of B-phenyl-diptychboroxazolidine each linked to two others by N—H … O hydrogen bonds (O … N = 2.914(3) A) to form continuous spirals along b.