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Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold
A novel glycoluril scaffold 1 , namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1 H ,3 H )-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5- d ]imidazole-2,5(1 H ,3 H )-dione 5 with propanediamine and p...
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| Published in: | Journal of chemical crystallography 2016-04, Vol.46 (4), p.208-212 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
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| container_issue | 4 |
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| container_title | Journal of chemical crystallography |
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| creator | Wang, Zhi-guo Yu, Wei Zheng, He-qi Wang, Zhi-gang |
| description | A novel glycoluril scaffold
1
, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1
H
,3
H
)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-
d
]imidazole-2,5(1
H
,3
H
)-dione
5
with propanediamine and paraformaldehyde. The yielded product
1
was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P2
1
/c with unit cell parameters a = 10.6892(11) Å, b = 12.1226(9) Å, c = 13.7822(13) Å, α = 90°, β = 112.620(4)°,γ = 90°, V = 1648.5(3) Å
3
, Z = 4, D
c
= 1.428, M
r
= 354.41, μ = 0.098 mm
−1
, F(000) = 752, R
1
= 0.0522 and wR
2
= 0.1138.
Graphical Abstract
A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril. |
| doi_str_mv | 10.1007/s10870-016-0646-y |
| format | article |
| fullrecord | <record><control><sourceid>crossref_sprin</sourceid><recordid>TN_cdi_crossref_primary_10_1007_s10870_016_0646_y</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1007_s10870_016_0646_y</sourcerecordid><originalsourceid>FETCH-LOGICAL-c288t-c4ef08dd59a5c8efd75dc8f93b11502a07548a37ea6e25c0502b835120a23b763</originalsourceid><addsrcrecordid>eNp9kMFOxCAQhonRxHX1AbzxAuhAodCjaXR3k1UP1TOhFLQbLAZak7693axnTzOZzPfnz4fQLYU7CiDvMwUlgQAtCZS8JPMZWlEhGVFK8PNlB8kJFZxdoqucDwBQKSZXaNvMw_jpcp-xGTpcpzmPJuBmTJMdp-Rw9Njgl_jjAt6E2cYwpT7g5xicnYJJuLHG-xi6a3ThTcju5m-u0fvT41u9JfvXza5-2BPLlBqJ5c6D6jpRGWGV850UnVW-KlpKBTADUnBlCulM6ZiwsNxaVQjKwLCilWWxRvSUa1PMOTmvv1P_ZdKsKeijCn1SoRcV-qhCzwvDTkxefocPl_QhTmlYav4D_QKEy2Iy</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold</title><source>Springer Link</source><creator>Wang, Zhi-guo ; Yu, Wei ; Zheng, He-qi ; Wang, Zhi-gang</creator><creatorcontrib>Wang, Zhi-guo ; Yu, Wei ; Zheng, He-qi ; Wang, Zhi-gang</creatorcontrib><description>A novel glycoluril scaffold
1
, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1
H
,3
H
)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-
d
]imidazole-2,5(1
H
,3
H
)-dione
5
with propanediamine and paraformaldehyde. The yielded product
1
was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P2
1
/c with unit cell parameters a = 10.6892(11) Å, b = 12.1226(9) Å, c = 13.7822(13) Å, α = 90°, β = 112.620(4)°,γ = 90°, V = 1648.5(3) Å
3
, Z = 4, D
c
= 1.428, M
r
= 354.41, μ = 0.098 mm
−1
, F(000) = 752, R
1
= 0.0522 and wR
2
= 0.1138.
Graphical Abstract
A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril.</description><identifier>ISSN: 1074-1542</identifier><identifier>EISSN: 1572-8854</identifier><identifier>DOI: 10.1007/s10870-016-0646-y</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Brief Communication ; Chemistry ; Chemistry and Materials Science ; Crystallography and Scattering Methods ; Inorganic Chemistry ; Organometallic Chemistry ; Physical Chemistry</subject><ispartof>Journal of chemical crystallography, 2016-04, Vol.46 (4), p.208-212</ispartof><rights>Springer Science+Business Media New York 2016</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c288t-c4ef08dd59a5c8efd75dc8f93b11502a07548a37ea6e25c0502b835120a23b763</citedby><cites>FETCH-LOGICAL-c288t-c4ef08dd59a5c8efd75dc8f93b11502a07548a37ea6e25c0502b835120a23b763</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Wang, Zhi-guo</creatorcontrib><creatorcontrib>Yu, Wei</creatorcontrib><creatorcontrib>Zheng, He-qi</creatorcontrib><creatorcontrib>Wang, Zhi-gang</creatorcontrib><title>Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold</title><title>Journal of chemical crystallography</title><addtitle>J Chem Crystallogr</addtitle><description>A novel glycoluril scaffold
1
, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1
H
,3
H
)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-
d
]imidazole-2,5(1
H
,3
H
)-dione
5
with propanediamine and paraformaldehyde. The yielded product
1
was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P2
1
/c with unit cell parameters a = 10.6892(11) Å, b = 12.1226(9) Å, c = 13.7822(13) Å, α = 90°, β = 112.620(4)°,γ = 90°, V = 1648.5(3) Å
3
, Z = 4, D
c
= 1.428, M
r
= 354.41, μ = 0.098 mm
−1
, F(000) = 752, R
1
= 0.0522 and wR
2
= 0.1138.
Graphical Abstract
A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril.</description><subject>Brief Communication</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Crystallography and Scattering Methods</subject><subject>Inorganic Chemistry</subject><subject>Organometallic Chemistry</subject><subject>Physical Chemistry</subject><issn>1074-1542</issn><issn>1572-8854</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kMFOxCAQhonRxHX1AbzxAuhAodCjaXR3k1UP1TOhFLQbLAZak7693axnTzOZzPfnz4fQLYU7CiDvMwUlgQAtCZS8JPMZWlEhGVFK8PNlB8kJFZxdoqucDwBQKSZXaNvMw_jpcp-xGTpcpzmPJuBmTJMdp-Rw9Njgl_jjAt6E2cYwpT7g5xicnYJJuLHG-xi6a3ThTcju5m-u0fvT41u9JfvXza5-2BPLlBqJ5c6D6jpRGWGV850UnVW-KlpKBTADUnBlCulM6ZiwsNxaVQjKwLCilWWxRvSUa1PMOTmvv1P_ZdKsKeijCn1SoRcV-qhCzwvDTkxefocPl_QhTmlYav4D_QKEy2Iy</recordid><startdate>20160401</startdate><enddate>20160401</enddate><creator>Wang, Zhi-guo</creator><creator>Yu, Wei</creator><creator>Zheng, He-qi</creator><creator>Wang, Zhi-gang</creator><general>Springer US</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20160401</creationdate><title>Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold</title><author>Wang, Zhi-guo ; Yu, Wei ; Zheng, He-qi ; Wang, Zhi-gang</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c288t-c4ef08dd59a5c8efd75dc8f93b11502a07548a37ea6e25c0502b835120a23b763</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Brief Communication</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Crystallography and Scattering Methods</topic><topic>Inorganic Chemistry</topic><topic>Organometallic Chemistry</topic><topic>Physical Chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Zhi-guo</creatorcontrib><creatorcontrib>Yu, Wei</creatorcontrib><creatorcontrib>Zheng, He-qi</creatorcontrib><creatorcontrib>Wang, Zhi-gang</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of chemical crystallography</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Zhi-guo</au><au>Yu, Wei</au><au>Zheng, He-qi</au><au>Wang, Zhi-gang</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold</atitle><jtitle>Journal of chemical crystallography</jtitle><stitle>J Chem Crystallogr</stitle><date>2016-04-01</date><risdate>2016</risdate><volume>46</volume><issue>4</issue><spage>208</spage><epage>212</epage><pages>208-212</pages><issn>1074-1542</issn><eissn>1572-8854</eissn><abstract>A novel glycoluril scaffold
1
, namely 1,6-(1,2-xylylene)-3,4-(1,3-dimetheneyl-hexahydropyrimidine)tetrahydroimidazo[4,5-d]imidazole-2,5(1
H
,3
H
)-dione, was synthesized by the Mannich reaction of 1,6-(1,2-xylylene)tetrahydroimidazo[4,5-
d
]imidazole-2,5(1
H
,3
H
)-dione
5
with propanediamine and paraformaldehyde. The yielded product
1
was confirmed with IR, NMR, EI-MS. X-ray crystallographic technique was also conducted and the result showed the crystal belongs to monoclinic system, space group P2
1
/c with unit cell parameters a = 10.6892(11) Å, b = 12.1226(9) Å, c = 13.7822(13) Å, α = 90°, β = 112.620(4)°,γ = 90°, V = 1648.5(3) Å
3
, Z = 4, D
c
= 1.428, M
r
= 354.41, μ = 0.098 mm
−1
, F(000) = 752, R
1
= 0.0522 and wR
2
= 0.1138.
Graphical Abstract
A novel molecular scaffold, containing a heterocyclic ring instead of an aromatic ring, was synthesized by the Mannich reaction based on glycoluril.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s10870-016-0646-y</doi><tpages>5</tpages></addata></record> |
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| subjects | Brief Communication Chemistry Chemistry and Materials Science Crystallography and Scattering Methods Inorganic Chemistry Organometallic Chemistry Physical Chemistry |
| title | Synthesis and Crystal Structure of a Novel Glycoluril Molecular Scaffold |
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