Preparation, characterisation and crystal structure analysis of 3-methyl-5-phenyl-1,2-benzisoxazole 2-oxide

Anuradha G.; Vasuki G.; Laxminarasimhulu G.; Veerareddy A.

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Preparation, characterisation and crystal structure analysis of 3-methyl-5-phenyl-1,2-benzisoxazole 2-oxide

机译：3-甲基-5-苯基-1，2-苯并恶唑2-氧化物的制备，表征及晶体结构分析

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The crystal structure of the compound 3-methyl-5-phenyl-1,2-benzisoxazole 2-oxide (C14H11NO2) (I) has been determined from single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P2(1)/c, with a = 24.7186(15) , b = 12.2875(6) , c = 7.3697(5) , beta = 91.483(3)A degrees, V = 2237.6(2) (3), Z = 8. The title compound is further characterized by TGA and mass spectra. There are two symmetry independent molecules in the asymmetric unit with no significant differences in bond lengths and angles between them. The crystal packing is stabilized by several C-Ha <-O hydrogen bonds and C-Ha <-pi interactions. The C-Ha <-O hydrogen bonds form chains with C (2) (2) (10) motifs.

机译：由单晶X射线衍射数据确定了化合物3-甲基-5-苯基-1，2-苯并恶唑2-氧化物（C14H11NO2）（I）的晶体结构。标题化合物在单斜空间群P2（1）/ c中结晶，a = 24.7186（15），b = 12.2875（6），c = 7.3697（5），beta = 91.483（3）A度，V = 2237.6 （2）（3），Z =8。标题化合物进一步通过TGA和质谱表征。在不对称单元中有两个独立的对称分子，它们之间的键长和角度没有显着差异。晶体堆积通过几个C-Ha <-O氢键和C-Ha <-pi相互作用而稳定。 C-Ha <-O氢键形成具有C（2）（2）（10）个基序的链。

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《Crystallography reports》 |2014年第7期|共5页
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Anuradha G.; Vasuki G.; Laxminarasimhulu G.; Veerareddy A.;
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Preparation, characterisation and crystal structure analysis of 3-methyl-5-phenyl-1,2-benzisoxazole 2-oxide

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