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huangpeipe(½ð±Ò+6, ·ÒëEPI+1): ˵ʵ»°£¬²»ÐУ¬ºÇºÇ£¬¸øÄ㼸¸ö½ð±Ò°É£¬ÔªÏü½Ú£¬²»ÈÝÒ× 2011-02-17 16:09:28
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We think the product originally structure like 3a , he C=N duplet bond is in the link . The product X- unit crystal diffraction (chart crystal data) actually demonstrated that N(1)-C(1) key length is 1.363 Å ; But N(2)-C(1) key length is 1.288 Å , compares N(1)-C(1) key length. According to the literature, the C=N duplet bond's key length is 1.279 &N single bond key length is 1.339Aring; , but C Å. Therefore, N(1)-C(1) in fact is a single bond , ut N(2)-C(1) is a duplet bond, namely the C=N duplet bond is in outside the link, structure like 4a (chart). Óýðɽ·ÒëµÄ£¬¿´¿´Ðв»ÐУ¿ÐеĻ°ÒªÐ¡É¢BBŶ~O(¡É_¡É)O~ |
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huangpeipe(½ð±Ò+20): û´í£¬Ö»ÊÇÄãû¿´µ½µ¥¾§Í¼£¬ÄãÒªÊÇ¿´µ½¾ÍÃ÷°×ÁË£¬Òª½áºÏͼ²ÅÄÜÃ÷°×£¬Ð»Ð» 2011-02-19 09:30:35
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We thought the structure of the product as shown in Figure 3a, which had C= N bond in the ring. However£¬it can be seen from the single crystal X-ray of products (Figure crystal data) that N (1)-C (1) bond length is 1.363 Å, and the N (2)-C (1) 1.288 Å. According to the literature, C = N bond length is 1.279 Å of while C-N bond length is 1.339 Å. Therefore, N (1)-C (1) is actually a single bond, while N (2)-C (1) is a double bond, ie C = N double bond is in the ring. The structures were shown in Figure 4a. ÄãµÄÖÐÎÄÀïÃæÃ»ÎÊÌâ°É¡£Äã˵ÎÄÏ×Öе¥¼ü¼ü³¤ÊÇ1.339 Å£¬¶øÄãµÄÊý¾ÝÖУºN(1)-C(1)µÄ¼ü³¤Îª1.363 Å¡£ÓÉ´Ë˵£ºN(1)-C(1)ʵ¼ÊÉÏÊǵ¥¼ü¡£Ã»Åª´í°É£¿×ÐϸºË¶ÔһϠ|
3Â¥2011-02-18 08:41:36













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