Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate
Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described i...
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Veröffentlicht in: | Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2007-08, Vol.63 (8), p.o481-o483 |
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container_title | Acta crystallographica. Section C, Crystal structure communications |
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creator | Guzei, Ilia A. Keter, Frankline K. Spencer, Lara C. Darkwa, James |
description | Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described in terms of the first‐ through fifth‐level graph sets. A two‐dimensional constructor graph helps visualize the supramolecular assembly. |
doi_str_mv | 10.1107/S0108270107031952 |
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A two‐dimensional constructor graph helps visualize the supramolecular assembly.</description><subject>Ammonium Chloride - chemistry</subject><subject>Chemical compounds</subject><subject>Chlorides</subject><subject>Crystal structure</subject><subject>Crystallography, X-Ray - methods</subject><subject>Graphs</subject><subject>Hydrogen Bonding</subject><subject>Hydrogen bonds</subject><subject>Models, Molecular</subject><subject>Models, Theoretical</subject><subject>Molecular Conformation</subject><subject>Molecular Structure</subject><subject>Pyrazoles - chemistry</subject><subject>Quaternary Ammonium Compounds - chemistry</subject><issn>0108-2701</issn><issn>1600-5759</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqFkctu1DAUhiMEotPCA7BBFgsEEgZf4tizrEZ0ilTBYkCUleXYzoyLE6d2IhqehYfFUUYgwaKSZR-f8_3Hl78onmH0FmPE3-0QRoLwPHNE8ZqRB8UKVwhBxtn6YbGay3CunxSnKd0ghAgh9HFxgnnFWc6vil-b0KUhjnoIEeyj6g_A2KSj6wcXOhAacJhMDHvbgTp0xnV74DqgQBr7qNrgrR69ikClZNvaT7PgFX3DoHGtHQ6Th_gS9lNUP4OHJZz8kn3tUuhj6Cev2jZ0bmyBPvgQnbEg78N8phrsk-JRo3yyT4_rWfHl4v3nzSW8-rT9sDm_gprykkJjRG3LHBqEK9Y0AiO2rq0lSCBcc42aRhsmdFVZTjhfW6YawVT-pJKyUhh6Vrxc-uY73Y42DbJ1SVvvVWfDmGQlMOGElveCFGGcOZHBF_-AN2GMXX6EJNmqklGCM4QXSMeQUrSN7KNrVZwkRnI2WP5ncNY8PzYe69aav4qjoxkQC_DDeTvd31Gef9vsLigqaZbCRerSYO_-SFX8LitOOZNfP24lqa7z2F7LHf0N5HTByg</recordid><startdate>200708</startdate><enddate>200708</enddate><creator>Guzei, Ilia A.</creator><creator>Keter, Frankline K.</creator><creator>Spencer, Lara C.</creator><creator>Darkwa, James</creator><general>Blackwell Publishing Ltd</general><general>Wiley Subscription Services, Inc</general><scope>BSCLL</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope></search><sort><creationdate>200708</creationdate><title>Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate</title><author>Guzei, Ilia A. ; Keter, Frankline K. ; Spencer, Lara C. ; Darkwa, James</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3743-dd8be4374d0165ff81059bee20801b7c0ffcd58c66e72779e5af85a57543548d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>Ammonium Chloride - chemistry</topic><topic>Chemical compounds</topic><topic>Chlorides</topic><topic>Crystal structure</topic><topic>Crystallography, X-Ray - methods</topic><topic>Graphs</topic><topic>Hydrogen Bonding</topic><topic>Hydrogen bonds</topic><topic>Models, Molecular</topic><topic>Models, Theoretical</topic><topic>Molecular Conformation</topic><topic>Molecular Structure</topic><topic>Pyrazoles - chemistry</topic><topic>Quaternary Ammonium Compounds - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Guzei, Ilia A.</creatorcontrib><creatorcontrib>Keter, Frankline K.</creatorcontrib><creatorcontrib>Spencer, Lara C.</creatorcontrib><creatorcontrib>Darkwa, James</creatorcontrib><collection>Istex</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>MEDLINE - Academic</collection><jtitle>Acta crystallographica. 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C</addtitle><date>2007-08</date><risdate>2007</risdate><volume>63</volume><issue>8</issue><spage>o481</spage><epage>o483</epage><pages>o481-o483</pages><issn>0108-2701</issn><eissn>1600-5759</eissn><abstract>Five distinct strong hydrogen‐bonding interactions of four kinds (N—H...Cl, N—H...O, O—H...N, and O—H...Cl) connect molecules of the title compound, C9H18N3+·Cl−·H2O, in the crystal structure into corrugated sheets stacked along the a axis. The intermolecular interactions are efficiently described in terms of the first‐ through fifth‐level graph sets. A two‐dimensional constructor graph helps visualize the supramolecular assembly.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>Blackwell Publishing Ltd</pub><pmid>17675701</pmid><doi>10.1107/S0108270107031952</doi></addata></record> |
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subjects | Ammonium Chloride - chemistry Chemical compounds Chlorides Crystal structure Crystallography, X-Ray - methods Graphs Hydrogen Bonding Hydrogen bonds Models, Molecular Models, Theoretical Molecular Conformation Molecular Structure Pyrazoles - chemistry Quaternary Ammonium Compounds - chemistry |
title | Constructor graph description of hydrogen bonding in a supramolecular assembly of (3,5-dimethyl-1H-pyrazol-4-ylmethyl)isopropylammonium chloride monohydrate |
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