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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides
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Crystal structures of three N-(aryl-sulfon-yl)-4-fluoro-benzamides

机译：三种N-（芳基磺酰基）-4-氟苯甲酰胺的晶体结构

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The crystal structures of three N-aryl-sulfonyl-4-fluoro-benzamides, namely 4-fluoro-N-(2-methyl-phenyl-sulfon-yl)benzamide, C14H12FNO3S, (I), N-(2-chloro-phenyl-sulfon-yl)-4-fluorobenzamide, C13H9ClFNO3S, (II), and N-(4-chloro-phenyl-sulfon-yl)-4-fluoro-benzamide monohydrate, C13H9ClFNO3S·H2O, (III), are described and compared with related structures. The asymmetric unit of (I) contains two independent mol-ecules (A and B), while that of (II) contains just one mol-ecule, and that of (III) contains a mol-ecule of water in addition to one main mol-ecule. The dihedral angle between the benzene rings is 82.83?(11)° in mol-ecule A and 85.01?(10)° in mol-ecule B of (I), compared to 89.91?(10)° in (II) and 81.82?(11)° in (III). The crystal structure of (I) features strong N—H?O hydrogen bonds between the A and B mol-ecules, resulting in an R44(16) tetra-meric unit. These tetra-meric units are connected into sheets in the bc plane by various C—H?O inter-actions, and adjacent sheets are further inter-linked via C—H?πar-yl inter-actions, forming a three-dimensional architecture. The crystal structure is further stabilized by πar-yl–πar-yl and S=O?πar-yl inter-actions. In the crystal of (II), mol-ecules are connected into R22(8) and R22(14) dimers via N—H?O hydrogen bonds and C—H?O inter-actions, respectively; the dimers are further inter-connected via a weak C=O?πar-yl inter-action, leading to the formation of chains along [1-10]. In the crystal of (III), N—H?O and O—H?O hydrogen bonds involving both the main mol-ecule and the solvent water mol-ecule results in the formation of sheets parallel to the bc plane. The sheets are further connected by C—H?O inter-actions and weak C—Cl?πar-yl, C—F?πar-yl and S=O?πar-yl inter-actions, forming a three-dimensional architecture.
机译：三种N-芳基磺酰基-4-氟苯甲酰胺的晶体结构，即4-氟-N-（2-甲基苯基苯磺酰基）苯甲酰胺，C14H12FNO3S，（I），N-（2-氯-描述并描述了苯基磺基）-4-氟苯甲酰胺C13H9ClFNO3S（II）和N-（4-氯苯基磺基）-4-氟苯甲酰胺一水合物C13H9ClFNO3S·H2O（III）与相关结构相比。 （I）的不对称单元包含两个独立的分子（A和B），而（II）的不对称单元仅包含一个分子，并且（III）的不对称单元除一个主分子外还包含一个分子。分子。 （I）的分子环中苯环之间的二面角为82.83？（11）°，B的分子环中苯二环之间的二面角为85.01？（10）°，（II）和81.82中的分子环为89.91？（10）° （III）中的α（11）°。 （I）的晶体结构在A和B摩尔分子之间具有强大的N-H2O氢键，从而形成R44（16）四聚体单元。这些四聚单元通过各种CH-O相互作用在bc平面中连接成片，相邻的片通过CH-芳基相互作用进一步相互连接，形成三维结构。晶体结构通过πaryl-πaryl和S = O？πaryl相互作用进一步稳定。在（II）的晶体中，分子核分别经由NH 2 O氢键和CH 2 O相互作用而与R22（8）和R22（14）二聚体连接。二聚体通过弱的C = O-芳基相互作用进一步相互连接，导致沿[1-10]形成链。在（III）的晶体中，涉及主分子和溶剂水分子的NH-OH和OH-O氢键导致形成平行于bc平面的片。这些片材还通过CH-O相互作用和弱C-Cl-芳基，C-F-芳基和S = O-芳基相互作用来连接，从而形成三维结构。

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