{"id":9951,"date":"2022-10-12T07:01:16","date_gmt":"2022-10-11T23:01:16","guid":{"rendered":"https:\/\/www.pyrazoles-derivatives.com\/?p=9951"},"modified":"2022-10-12T07:01:16","modified_gmt":"2022-10-11T23:01:16","slug":"foces-foces-concepcions-team-published-research-in-acta-crystallographica-section-b-structural-science-in-2000-12-31-13808-65-6","status":"publish","type":"post","link":"https:\/\/www.pyrazoles-derivatives.com\/?p=9951","title":{"rendered":"Foces-Foces, Concepcion&#8217;s team published research in Acta Crystallographica, Section B: Structural Science  in 2000-12-31 | 13808-65-6"},"content":{"rendered":"<p>Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile< Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study>,  <a href=\"https:\/\/www.ambeed.com\/products\/13808-65-6.html\">Formula: C9H7BrN2<\/a>,  the main research area is  pyrazole derivative supramol structure solid state ab initio.<\/p>\n<p>The secondary structure of 1H-unsubstituted pyrazole derivatives bearing only one hydrogen-donor group and one or more acceptor groups has been analyzed in terms of some descriptors representing the substituents at C3 and C5. The substituent at C4 appears to affect mainly the tertiary or quaternary structure of these compounds The proposed semi-quant. model, which explains most hydrogen-bonded motifs as a combination of the effects of substituents at C3 and C5, has also been examined as a function of the steric and polarizability effects of these substituents represented by molar refractivity. The model also applies to other five-membered rings (1,2,4-triazoles, 1,2,4-diazaphospholes and 1,2,4-diazaarsoles). Furthermore, ab initio calculations at RHF\/6-31G* have been performed to discover the relative stability of three of the four hydrogen-bond patterns displayed by several sym. pyrazoles (dimers, trimers, tetramers). The fourth motif, catemers, has only been discussed geometrically.<\/p>\n<p>Acta Crystallographica, Section B: Structural Science published new progress about Density functional theory. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, <a href=\"https:\/\/www.ambeed.com\/products\/13808-65-6.html\">Formula: C9H7BrN2<\/a>.<\/p>\n<p>Referemce:<br \/><a href=\"https:\/\/en.wikipedia.org\/wiki\/Pyrazole\">Pyrazole &#8211; Wikipedia<\/a>,<br \/><a href=\"https:\/\/www.sciencedirect.com\/topics\/chemistry\/pyrazoles\">Pyrazoles &#8211; an overview | ScienceDirect Topics<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Acta Crystallographica, Section B: Structural Science published new progress about Density functional theory. 13808-65-6 belongs to class pyrazoles-derivatives, and the molecular formula is C9H7BrN2, <a href=\"https:\/\/www.ambeed.com\/products\/13808-65-6.html\">Formula: C9H7BrN2<\/a>.<\/p>\n","protected":false},"author":8,"featured_media":0,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[480,131],"tags":[716],"class_list":["post-9951","post","type-post","status-publish","format-standard","hentry","category-13808-65-6","category-pyrazoles-derivatives","tag-m-w200-250"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.9 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Foces-Foces, Concepcion&#039;s team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives<\/title>\n<meta name=\"description\" content=\"Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile&lt; Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study&gt;, Formula: C9H7BrN2, the main research area is pyrazole derivative supramol structure solid state ab initio.\" \/>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"http:\/\/www.pyrazoles-derivatives.com\/?p=9951\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Foces-Foces, Concepcion&#039;s team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives\" \/>\n<meta property=\"og:description\" content=\"Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile&lt; Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study&gt;, Formula: C9H7BrN2, the main research area is pyrazole derivative supramol structure solid state ab initio.\" \/>\n<meta property=\"og:url\" content=\"http:\/\/www.pyrazoles-derivatives.com\/?p=9951\" \/>\n<meta property=\"og:site_name\" content=\"pyrazoles-derivatives\" \/>\n<meta property=\"article:published_time\" content=\"2022-10-11T23:01:16+00:00\" \/>\n<meta name=\"author\" content=\"Jessica.F\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"Jessica.F\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\/\/schema.org\",\"@graph\":[{\"@type\":\"WebPage\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=9951\",\"url\":\"http:\/\/www.pyrazoles-derivatives.com\/?p=9951\",\"name\":\"Foces-Foces, Concepcion's team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives\",\"isPartOf\":{\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#website\"},\"datePublished\":\"2022-10-11T23:01:16+00:00\",\"author\":{\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\"},\"description\":\"Foces-Foces, Concepcion; 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Pyrazole derivatives play an important role in antitumor agents.\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"http:\/\/www.pyrazoles-derivatives.com\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Person\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1\",\"name\":\"Jessica.F\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"http:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/image\/\",\"url\":\"https:\/\/cn.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"contentUrl\":\"https:\/\/cn.cravatar.com\/avatar\/2d1cec2a99eeaad5a5b217c9cdbfb610?s=96&d=mm&r=g\",\"caption\":\"Jessica.F\"}}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Foces-Foces, Concepcion's team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives","description":"Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile< Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study>, Formula: C9H7BrN2, the main research area is pyrazole derivative supramol structure solid state ab initio.","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951","og_locale":"en_US","og_type":"article","og_title":"Foces-Foces, Concepcion's team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives","og_description":"Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile< Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study>, Formula: C9H7BrN2, the main research area is pyrazole derivative supramol structure solid state ab initio.","og_url":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951","og_site_name":"pyrazoles-derivatives","article_published_time":"2022-10-11T23:01:16+00:00","author":"Jessica.F","twitter_card":"summary_large_image","twitter_misc":{"Written by":"Jessica.F","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"WebPage","@id":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951","url":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951","name":"Foces-Foces, Concepcion's team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6 | pyrazoles-derivatives","isPartOf":{"@id":"http:\/\/www.pyrazoles-derivatives.com\/#website"},"datePublished":"2022-10-11T23:01:16+00:00","author":{"@id":"http:\/\/www.pyrazoles-derivatives.com\/#\/schema\/person\/d9a9f27bed675392c6f363a01ffd49f1"},"description":"Foces-Foces, Concepcion; Alkorta, Ibon; Elguero, Jose published the artcile< Supramolecular structure of 1H-pyrazoles in the solid state: a crystallographic and ab initio study>, Formula: C9H7BrN2, the main research area is pyrazole derivative supramol structure solid state ab initio.","breadcrumb":{"@id":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951#breadcrumb"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["http:\/\/www.pyrazoles-derivatives.com\/?p=9951"]}]},{"@type":"BreadcrumbList","@id":"http:\/\/www.pyrazoles-derivatives.com\/?p=9951#breadcrumb","itemListElement":[{"@type":"ListItem","position":1,"name":"\u9996\u9875","item":"http:\/\/www.pyrazoles-derivatives.com\/"},{"@type":"ListItem","position":2,"name":"Foces-Foces, Concepcion&#8217;s team published research in Acta Crystallographica, Section B: Structural Science in 2000-12-31 | 13808-65-6"}]},{"@type":"WebSite","@id":"http:\/\/www.pyrazoles-derivatives.com\/#website","url":"http:\/\/www.pyrazoles-derivatives.com\/","name":"pyrazoles-derivatives","description":"Several pyrazole derivatives possess important pharmacological activities and they have been proved useful materials in drug research. 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