Brandon G. Wackerle , Eric J. Werner , Richard J. Staples , Shannon M. Biros
{"title":"三（2-氨基乙基）甲烷封端氨基甲酰基甲基氧化膦化合物的晶体结构","authors":"Brandon G. Wackerle , Eric J. Werner , Richard J. Staples , Shannon M. Biros","doi":"10.1107/S2056989024008478","DOIUrl":null,"url":null,"abstract":"<div><p>The crystal structure of the compound described here features both C—H⋯O and N—H⋯O intramolecular hydrogen bonds, as well as a myriad of intermolecular C—H⋯O hydrogen-bonding interactions.</p></div><div><p>The molecular structure of the tripodal carbamoylmethylphosphine oxide compound diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate, C<sub>25</sub>H<sub>52</sub>N<sub>3</sub>O<sub>12</sub>P<sub>3</sub>, features six intramolecular hydrogen-bonding interactions. The phosphonate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect <em>trans</em> geometry, and the geometry around each phophorus atom resembles a slightly distorted tetrahedron.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 9","pages":"Pages 993-996"},"PeriodicalIF":0.5000,"publicationDate":"2024-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Crystal structure of a tris(2-aminoethyl)methane capped carbamoylmethylphosphine oxide compound\",\"authors\":\"Brandon G. Wackerle , Eric J. Werner , Richard J. Staples , Shannon M. Biros\",\"doi\":\"10.1107/S2056989024008478\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>The crystal structure of the compound described here features both C—H⋯O and N—H⋯O intramolecular hydrogen bonds, as well as a myriad of intermolecular C—H⋯O hydrogen-bonding interactions.</p></div><div><p>The molecular structure of the tripodal carbamoylmethylphosphine oxide compound diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate, C<sub>25</sub>H<sub>52</sub>N<sub>3</sub>O<sub>12</sub>P<sub>3</sub>, features six intramolecular hydrogen-bonding interactions. The phosphonate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect <em>trans</em> geometry, and the geometry around each phophorus atom resembles a slightly distorted tetrahedron.</p></div>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"80 9\",\"pages\":\"Pages 993-996\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2024-09-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/org/science/article/pii/S2056989024001919\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989024001919","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Crystal structure of a tris(2-aminoethyl)methane capped carbamoylmethylphosphine oxide compound
The crystal structure of the compound described here features both C—H⋯O and N—H⋯O intramolecular hydrogen bonds, as well as a myriad of intermolecular C—H⋯O hydrogen-bonding interactions.
The molecular structure of the tripodal carbamoylmethylphosphine oxide compound diethyl {[(5-[2-(diethoxyphosphoryl)acetamido]-3-{2-[2-(diethoxyphosphoryl)acetamido]ethyl}pentyl)carbamoyl]methyl}phosphonate, C25H52N3O12P3, features six intramolecular hydrogen-bonding interactions. The phosphonate groups have key bond lengths ranging from 1.4696 (12) to 1.4729 (12) Å (P=O), 1.5681 (11) to 1.5811 (12) Å (P—O) and 1.7881 (16) to 1.7936 (16) Å (P—C). Each amide group adopts a nearly perfect trans geometry, and the geometry around each phophorus atom resembles a slightly distorted tetrahedron.
期刊介绍：
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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