SYNTHESIS OF 2-SUBSTITUED-PYRANO[2,3-D]PYRIMIDIN-4(3H)-ONE DERIVATIVES USING IMINOPHOSPHORANE
作者：
Qing-Yun Ren;Hong-Wu He
作者机构：
[Qing-Yun Ren; Hong-Wu He] Key Laboratory of Pesticide &Chemical Biology,Ministry of Education,College of Chemistry,Central China Normal University,Wuhan,430079,P.R.China
会议名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)
会议时间：
2007-4-15
会议地点：
厦门
会议主办单位：
中国化学会
会议论文集名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)论文集
语种：
英文
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具有生物活性的吡唑并嘧啶类化合物的合成研究进展
作者：
徐迪帆;梁英;贺红武
作者机构：
教育部农药与化学生物学重点实验室,华中师范大学化学学院农药化学研究所,武汉,430079
会议名称：
第七届全国新农药创制学术交流会
会议时间：
2007-05-01
会议地点：
杭州
会议论文集名称：
第七届全国新农药创制学术交流会
关键词：
吡唑并嘧啶类化合物;合成方法;生物活性;农药
摘要：
本文综述了在农药和医药领域具有广泛用途的吡唑并嘧啶类化合物合成方法上的研究进展.介绍了二大类吡唑并嘧啶化合物的相关合成方法及新进展.
语种：
中文
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SYNTHESIS AND THERMAL PROPERTY OF BIS(1-OXO-2,6,7-TRIOXO-1-PHOSPHABICYCLO[2,2,2]OCTANE-4-METHANOIC)-2,2-D IMETHYL-1,3-PROPANEDIESTER
作者：
Xi-Jun Sheng;Zheng-Qiu Li;Hong-Wu He
作者机构：
[Xi-Jun Sheng; Zheng-Qiu Li; Hong-Wu He] Key Laboratory of Pesticide and Chemical Biology of Ministry of Education,College of Chemistry,Central China Normal University,Wuhan 430079,People's Republic of China
会议名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)
会议时间：
2007-4-15
会议地点：
厦门
会议主办单位：
中国化学会
会议论文集名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)论文集
语种：
英文
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Theoretical calculation of the binding free energies for pyruvate dehydrogenase E1 binding with ligands
作者：
Xiong, Ying;Li, Yongjian;He, Hongwu;Zhan, Chang-Guo*
期刊：
Bioorganic & Medicinal Chemistry Letters ,2007年17(18):5186-5190 ISSN：0960-894X
通讯作者：
Zhan, Chang-Guo
作者机构：
[Zhan, Chang-Guo] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, Lexington, KY 40536 USA.
通讯机构：
[Zhan, Chang-Guo] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
binding;Estrone;pyruvate dehydrogenase;Protocols documentation;inhibitors
摘要：
We have tested a computational protocol based on molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) free-energy calculations to examine the detailed microscopic structures and binding free energies for the pyruvate dehydrogenase multienzyme complex (PDHc) E1 binding with its ligands (cofactor and inhibitors). The calculated binding free energies are all in good agreement with available experimental data, with an average absolute deviation of ∼0.7 kcal/mol, suggesting that the computational protocol tested may be valuable in future rational design of new, more potent inhibitors of PDHc E1. © 2007 Elsevier Ltd. All rights reserved.
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英文
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2-Dipropyl-amino-6-methyl-5-(4-methyl-phen-yl)-3,8-diphenyl-5, 8-dihydro-pyrazolo[4′,3′:5,6]pyrano[2,3-d]pyrimidin-4(3H)-one
作者：
Ren, Qing-Yun;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(4):o1921-o1923 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu; Ren, Qing-Yun] Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the title mol-ecule, C34H35N5O2, all bond lengths and angles are within normal ranges. The crystal packing is stabilized by weak inter-molecular C - H⋯O hydrogen bonds and π-π inter-actions. © International Union of Crystallography 2007.
语种：
英文
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四氢苯并[4',5']噻吩并[3',2':5,6]吡啶并[4,3-d]嘧啶-4(3H)-酮的合成、晶体结构及杀菌活性
作者：
Ren Qing-Yun* ;He Hong-Wu;Liu Jian-Chao
期刊：
有机化学 ,2007年27(3):397-401 ISSN：0253-2786
通讯作者：
Ren Qing-Yun
作者机构：
[He Hong-Wu; Ren Qing-Yun; Ren, QY; Liu Jian-Chao] Cent China Normal Univ, Minist Educ, Inst Organ Synthesis, Key Lab Pesticide & Chem Biol, Wuhan 430070, Peoples R China.
通讯机构：
[Ren Qing-Yun] C;Cent China Normal Univ, Minist Educ, Inst Organ Synthesis, Key Lab Pesticide & Chem Biol, Wuhan 430070, Peoples R China.
关键词：
吡啶并[4,3-d]嘧啶;氮杂Wittig反应;合成;晶体结构;杀菌活性
摘要：
通过氮杂 Wittig反应合成了一系列结构新颖的未见文献报道的取代四氢苯并[4',5']噻吩并[3',2':5,6]吡啶并[4,3-d嘧啶-4(3H)-酮化合物6,产物的结构通过核磁共振氢谱、质谱、红外光谱、元素分析的确证.为进一步了解此类化合物的结构,对化合物6c进行了X射线单晶衍射.初步杀菌活性测定结果表明,该类化合物具有较好的杀菌活性和选择性.如6f在50 mg/L浓度时,对黄瓜灰霉菌的抑制率为98%.
语种：
中文
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一维双核锌配合物[Zn_2（SHSH）_2（2-Me-PY）_2]的合成、晶体结构及理论研究
作者：
Hu Zong-Qiu* ;Shi Shao-Min;He Hong-Wu;Ding Yu;Jia Bing
期刊：
无机化学学报 ,2007年23(2):323-328 ISSN：1001-4861
通讯作者：
Hu Zong-Qiu
作者机构：
[Hu Zong-Qiu] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.;Xiaogan Univ, Dept Chem, Xiaogan 432000, Hubei, Peoples R China.
通讯机构：
[Hu Zong-Qiu] C;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
关键词：
水杨醛缩水杨酰肼Schiff碱;晶体结构
摘要：
Schiff碱类化合物及其金属配合物的合成与研究是生物学和化学研究的前沿领域，在药学、催化等领域有广泛的应用。水杨醛缩水杨酰肼（SHSH）Schiff碱在分析化学方面广泛应用于痕量金属的分析、荧光活性方面用作荧光材料．其金属配合物在抗炎症方面有广泛的研究与应用。该类Schiff碱的镧系金属配合物在半导体材料方面有广泛的应用．[第一段]
语种：
中文
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A facile synthesis and fungicidal activities of novel fluorine-containing pyrido[4,3-d]pyrimidin-4(3H)-ones
作者：
Ren, Qingyun;Cui, Zeping;He, Hongwu* ;Gu, Yucheng
期刊：
Journal of Fluorine Chemistry ,2007年128(11):1369-1375 ISSN：0022-1139
通讯作者：
He, Hongwu
作者机构：
Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, Wuhan 430079, Hubei, Peoples R China.;Jealotts Hill Int Res Ctr, Bracknell RG42 6EY, Berks, England.;[He, Hongwu] Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, 152 Luoyu Rd, Wuhan 430079, Hubei, Peoples R China.
通讯机构：
[He, Hongwu] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticide & Chem Biol, Minist Educ, 152 Luoyu Rd, Wuhan 430079, Hubei, Peoples R China.
关键词：
Pyrido[4,3-d]pyrimidin-4(3H)-one;aza-Wittig reaction;Synthesis;Fungicidal activity
摘要：
Sixteen novel 2-substituted-5,8,9-trimethyl-3-(4-fluoro-substituted)phenyl-thieno[3′,2′-5,6] pyrido[4,3-d]pyrimidin-4(3H)-ones 5a–5p were designed and have been successfully synthesized via tandem aza-Wittig and annulation reactions of the corresponding iminophosphorances 1, para-fluoro phenyl isocyanate, and substituted phenols or amines in 73–90% isolated yields. Their structures were clearly verified by IR, 1H NMR, EI-MS spectroscopy and elemental analysis, and in the case of compound 5a, analyzed by single-crystal X-ray diffraction further. The results of preliminary bioassay indicated that some compounds possess inhibition activities against Rhizoctonia solani and Botrytis cinereapers at a dosage of 50 mg/L.Graphical abstractSixteen novel 2-substituted-pyrido[4,3-d]pyrimidin-4(3H)-ones 5a–5p were easily synthesized via tandem aza-Wittig and annulation reactions. Their structures were clearly verified by IR, 1H NMR, EI-MS spectroscopy and elemental analysis, and 5a, analyzed by single-crystal X-ray diffraction. The results of preliminary bioassay indicated that some compounds possess significant fungicidal activities.
语种：
英文
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Ethyl 4-amino-5-cyano-6-[(2-hydroxy-ethyl)amino]-2-methyl-nicotinate
作者：
Ren, Qing-Yun* ;He, Hong-Wu;Jin, Chuan-Fei;Gu, Yu-Cheng
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(10):o4015-o4015 ISSN：2053-2296
通讯作者：
Ren, Qing-Yun
作者机构：
[Ren, Qing-Yun] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.;Jealotts Hill Inst Res Ctr, Bracknell RG42 6EY, Berks, England.
通讯机构：
[Ren, Qing-Yun] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the title compound, C12H16N4O3, all bond lengths and angles are within normal ranges. An O - H⋯N and an N - H⋯O intra-molecular hydrogen bond contribute to the approximately planar mol-ecular conformation. In the crystal structure, inter-molecular N - H⋯O and N - H⋯N hydrogen bonds link the mol-ecules into ribbons parallel to the [1 0] direction. © International Union of Crystallography 2007.
语种：
英文
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β-环糊精与除草活性化合物HW02包合物的特征及性质研究
作者：
彭浩;贺红武
作者机构：
教育部农药与化学生物学重点实验室,华中师范大学化学学院农药化学研究所,武汉,430079
会议名称：
第七届全国新农药创制学术交流会
会议时间：
2007-05-01
会议地点：
杭州
会议论文集名称：
第七届全国新农药创制学术交流会
关键词：
环糊精;除草活性;包合物;膦酸酯
摘要：
用饱和水溶液法制备了β-环糊精与具有除草活性的化合物O,O-二甲基-1-(2,4-二氯苯氧乙酰氧基)乙基膦酸酯(编号HW02)的超分子包合物,通过紫外,红外,1H NMR研究了包合物的包结特性.同时,从水洛性,稳定性等方面研究了形成包合物后HW02的性质变化.
语种：
中文
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清洁生产的一般方法和国内外典型绿色工艺
作者：
贺红武;莫文妍
期刊：
中国农药 ,2007年(01):37-40
作者机构：
华中师范大学教育部农药与化学生物学重点实验室
关键词：
清洁生产;催化剂;绿色工艺;合成工艺;副产品;提高经济效益;一般方法;甲基丙烯酸甲酯;异丁烯;异丙苯
语种：
中文
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AN EFFICIENT CATALYTIC ASYMMETRIC SYNTHESIS AND BIOLOGICAL EVALUATION OF α-SUBSTITUTED AROYLOXYL PHOSPHONATES
作者：
Hui Liu;Hongwu He;Wen-Jing Xiao
作者机构：
[Hui Liu; Hongwu He; Wen-Jing Xiao] Key Laboratory of Pesticide and Chemical Biology,Ministry of Education,College of Chemistry,Central China Normal University,152 Luoyu Road,Wuhan,Hubei 430079,China
会议名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)
会议时间：
2007-4-15
会议地点：
厦门
会议主办单位：
中国化学会
会议论文集名称：
第17届国际磷化学学术会议(The 17th International Conference on Phosphorus Chemistry)论文集
语种：
英文
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Molecular docking and three-dimensional quantitative structure-activity relationship studies on the binding modes of herbicidal 1-(substituted phenoxyacetoxy) alkylphosphonates to the E1 component of pyruvate dehydrogenase
作者：
Peng, Hao;Wang, Tao;Xie, Peng;Chen, Ting;He, Hong-Wu* ;...
期刊：
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY ,2007年55(5):1871-1880 ISSN：0021-8561
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu] Cent China Normal Univ, Minst Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Minst Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
关键词：
1-(substituted phenoxyacetoxy)alkylphosphonates;herbicidal activities;3D-QSAR;molecular docking;binding model;pyruvate dehydrogenase complex
摘要：
Molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies on the title compounds were performed to explore the possible inhibitory mechanism. To determine the probable binding conformations of the title phosphonate derivatives, the most potent compound 12 was chosen as a standard template and docked into the active site of PDHc E1. On the basis of the binding conformations, highly predictive 3D-QSAR models were developed with q2 values of 0.872 and 0.873 for comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), respectively. The predictive abilities of these models were validated by using a set of compounds that were not included in the training set. Both the CoMFA and the CoMSIA field distributions are in good agreement with the spatial and electronic structural characteristics of the binding groove of PDHc E1 selected in this work. Mapping the 3D-QSAR models to the active site of PDHc E1 provides new insight into the protein-inhibitor interaction mechanism, which is most likely valuable and applicable for designing highly active compounds in the future. © 2007 American Chemical Society.
语种：
英文
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Synthesis and herbicidal activity of alkyl 1-(3-trifluoromethylphenoxyacetoxy)-1-substituted methylphosphonates
作者：
He, Hongwu* ;Chen, Ting;Li, Yanjun
期刊：
Journal of Pesticide Science ,2007年32(1):42-44 ISSN：1348-589X
通讯作者：
He, Hongwu
作者机构：
[He, Hongwu; Chen, Ting; Li, Yanjun] Cent China Normal Univ, Coll Chem, Inst Pesticide Chem, Key Lab Pesticide & Chem Biol Minist Educ, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hongwu] C;Cent China Normal Univ, Coll Chem, Inst Pesticide Chem, Key Lab Pesticide & Chem Biol Minist Educ, Wuhan 430079, Peoples R China.
关键词：
herbicidal activity;structure–activity relationship;pyruvate dehydrogenase inhibition;1-hydroxyalkylphosphonates;trifluoromethyl
摘要：
A series of O,O-dialkyl 1-(3-trifluoromethylphenoxyacetoxy)-1-substituted methylphosphonates were synthesized by the condensation of O,O-dialkyl 1-hydroxyalkylphosphonates with 3-trifluoromethylphenoxyacetyl chloride. Their herbicidal activity against a set of weed species was examined. The results showed that improvement of herbicidal activity required a reasonable combination of substituents in the parent structure, which provided some hints for further study of structure modification. (c) Pesticide Science Society of Japan.
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英文
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Synthesis, Crystal Structure and Biological Activities of 3-[2-(4-Fluoro-phenyl)-ethyl]-5-methyl-4-hydroxyl-4-methyl-7-methylsulfanyl-3,4-dihydro-pyrido[4,3-d]pyrimidine-8-carbonitrile
作者：
Mo Wen-Yan;He Hong-Wu*
期刊：
Chinese Journal of Structural Chemistry ,2007年26(2):172-176 ISSN：0254-5861
通讯作者：
He Hong-Wu
作者机构：
[He Hong-Wu; Mo Wen-Yan] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构：
[He Hong-Wu] C;Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
关键词：
pyrido[4,3-d]pyrimidine;synthesis;crystal structure;biological activities
摘要：
The title compound, 3-[2-(4-fluoro-phenyl)-ethyl]-5-methyl-4-hydroxyl-4-methyl-7-methylsulfanyl-3,4-dihydro-pyrido[4,3-d]pyrimidine-8-carbonitrile, has been prepared and detemined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P(1) with a = 6.8754(8), b = 10.2617(12), c = 13.3491(16)(A), α = 93.163(2), β = 96.704(2), γ =102.421(2)°, V= 910.35(19) (A) ~3, Z = 2, M_r = 370.44, D_c = 1.351 g/cm~3,μ = 0.203 mm~(-1), F(000) =388, the final R = 0.0573 and wR = 0.1497. X-ray analysis reveals that the pyridine and pyrimidine rings are almost coplanar.
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英文
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N-[(2,4-Dichloro-phen-oxy)acet-yl]-N′-(dimethoxy-thio-phosphino-yl ) hydrazine
作者：
Zhang, Hui-Rong;Peng, Hao;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(3):o1080-o1081 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[Zhang, Hui-Rong; He, Hong-Wu; Peng, Hao] Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430079, Peoples R China.
摘要：
In the title compound, C10H13Cl2O4PS, all bond lengths and angles are normal. The P atom is in a distorted tetra-hedral configuration. In the crystal structure, inter-molecular N - H⋯O hydrogen bonds link the mol-ecules into chains running along the b axis. © 2007 International Union of Crystallography.
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英文
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2-{(2-Chlorophenyl)[(2,4-dichlorophenoxy)-acetoxy]methyl}-5,5-dimethyl-1,3, 2-dioxa-phosphinan-2-one
作者：
Zuo, Na;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(2):o794-o795 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu; Zuo, Na] Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the title compound, C20H20Cl3O 6P, all bond lengths and angles are normal. The P atom is in a distorted tetrahedral configuration. The crystal packing is stabilized by weak intermolecular C-H⋯O hydrogen bonds and π-π interactions. © 2007 International Union of Crystallography All rights reserved.
语种：
英文
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(E)-Methyl 3-[3-(bromo-meth-yl)phen-yl]acrylate
作者：
Ren, Xin-Lin;Peng, Hao;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(5):o2080-o2081 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu; Ren, Xin-Lin; Peng, Hao] Cent China Normal Univ, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the title mol-ecule, C11H11BrO2, all bond lengths and angles show normal values. Weak inter-molecular C - H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers and C - H⋯π inter-actions contribute to the stability of the crystal packing. © 2007 International Union of Crystallography. All rights reserved.
语种：
英文
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Dimethyl [(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-ylamino)phenylmethyl]- phosphonate
作者：
Xu, Di-Fan;Liu, Xiao-Kou;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(11):O4392-U4103 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu; Liu, Xiao-Kou; Xu, Di-Fan] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticides & Chem Biol, Wuhan 430079, Peoples R China.
摘要：
In the structure of the title compound, C16H21N2O5PS, the P atom adopts a slightly distorted tetra-hedral configuration. The crystal packing is stabilized by intra-molecular C - H⋯N and C - H⋯O and inter-molecular N - H⋯O hydrogen-bonding inter-actions. © International Union of Crystallography 2007.
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英文
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4-(2-Chloro-benzyl-idenehydrazinocarbon-yl)-2-methyl-2H-pyrazole-3- sulfonamide
作者：
Wei, Jia-Jia;Wang, Wei-Dong;Li, Wen-Ying;He, Hong-Wu*
期刊：
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY ,2007年63(10):O4057-U3126 ISSN：2053-2296
通讯作者：
He, Hong-Wu
作者机构：
[He, Hong-Wu; Wang, Wei-Dong; Wei, Jia-Jia; Li, Wen-Ying] Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430070, Peoples R China.
通讯机构：
[He, Hong-Wu] C;Cent China Normal Univ, Coll Chem, Key Lab Pesticides & Chem Biol, Minist Educ, Wuhan 430070, Peoples R China.
关键词：
single-crystal X-ray study;T=292 K;mean sigma(C-C)=0.004 angstrom;R factor=0.043;wR factor=0.136;data-to-parameter ratio=13.6
摘要：
In the title compound, C12H12ClN5O3S, the pyrazole ring and the benzene ring are approximately coplanar. The mean plane of the pyrazole ring makes a dihedral angle of 12.82 (13)° with the mean plane of the benzene ring. The crystal packing is stabilized by intra-molecular N - H⋯O and inter-molecular N - H⋯O and N - H⋯N hydrogen bonds. © International Union of Crystallography 2007.
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英文
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