首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of butyl 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate and 2-meth­oxy­ethyl 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate
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Crystal structures of butyl 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate and 2-meth­oxy­ethyl 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate

机译:2-氨基-5-羟基-4-(4-硝基苯­基)苯并呋喃-3-羧酸丁酯和2-甲基­氧基乙基2-氨基-5-羟基-4-(4-硝基苯­基)苯并呋喃-3-羧酸丁酯的晶体结构

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摘要

The title benzo­furan derivatives 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate (BF1), C19H18N2O6, and 2-meth­oxy­ethyl 2-amino-5-hy­droxy-4-(4-nitro­phen­yl)benzo­furan-3-carboxyl­ate (BF2), C18H16N2O7, recently attracted attention because of their promising anti­tumoral activity. BF1 crystallizes in the space group P . BF2 in the space group P21/c. The nitro­phenyl group is inclined to benzo­furan moiety with a dihedral angle between their mean planes of 69.2 (2)° in BF1 and 60.20 (6)° in BF2. A common feature in the mol­ecular structures of BF1 and BF2 is the intra­molecular N—H⋯Ocarbon­yl hydrogen bond. In the crystal of BF1, the mol­ecules are linked head-to-tail into a one-dimensional hydrogen-bonding pattern along the a-axis direction. In BF2, pairs of head-to-tail hydrogen-bonded chains of mol­ecules along the b-axis direction are linked by O—H⋯Ometh­oxy hydrogen bonds. In BF1, the butyl group is disordered over two orientations with occupancies of 0.557 (13) and 0.443 (13).
机译:标题苯并呋喃衍生物2-氨基-5-羟基-4-(4-硝基苯基)苯并呋喃-3-羧酸酯(BF1),C19H18N2O6和2-甲氧基乙基2-氨基-5-羟基-4-(4-硝基苯基)苯并呋喃-3-羧酸盐(BF2),C18H16N2O7最近因其有希望的抗肿瘤活性而受到关注。 BF1在空间群P中结晶。空间组P21 / c中的BF2。硝基­苯基与苯并呋喃部分倾斜,其二面角在BF1中为69.2(2)°,在BF2中为60.20(6)°。 BF1和BF2分子结构的共同特征是分子内N-H⋯O羰基氢键。在BF1的晶体中,分子沿a轴方向从头到尾连接成一维氢键合图。在BF2中,成对的沿b轴方向的分子从头到尾的氢键连接的链通过OH-O-O-甲氧氧基氢键连接。在BF1中,丁基在两个方向上无序排列,占空度分别为0.557(13)和0.443(13)。

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