A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis
The title compound, C 8 H 8 NO 4 + ·NO 3 − ·H 2 O, crystallizes in the same space group ( P 2 1 / c ) as the previously reported dihydrate form [Liang & Zhu (2010). Acta Cryst. E 66 , o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked...
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| Veröffentlicht in: | Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2022-12, Vol.78 (12), p.1151-1155 |
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| container_title | Acta crystallographica. Section E, Crystallographic communications |
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| creator | Boutebdja, Mehdi Benarous, Nesrine Boulkedid, Ahlem Linda Lehleh, Asma Beghidja, Adel |
| description | The title compound, C
8
H
8
NO
4
+
·NO
3
−
·H
2
O, crystallizes in the same space group (
P
2
1
/
c
) as the previously reported dihydrate form [Liang & Zhu (2010).
Acta Cryst.
E
66
, o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked into a three-dimensional network by classical intermolecular O—H...O and N—H...O hydrogen bonds and π–π stacking interactions. A Hirshfeld surface (HS) analysis indicated that the most important contributions to the crystal packing are from H...O/O...H (52.4%), H...H (13.9%) and C...C (11.2%) for one cation and H...O/O...H (46.3%), H...H (20%) and O...C/C...O (10.6%) for the other. |
| doi_str_mv | 10.1107/S2056989022010167 |
| format | Article |
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8
H
8
NO
4
+
·NO
3
−
·H
2
O, crystallizes in the same space group (
P
2
1
/
c
) as the previously reported dihydrate form [Liang & Zhu (2010).
Acta Cryst.
E
66
, o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked into a three-dimensional network by classical intermolecular O—H...O and N—H...O hydrogen bonds and π–π stacking interactions. A Hirshfeld surface (HS) analysis indicated that the most important contributions to the crystal packing are from H...O/O...H (52.4%), H...H (13.9%) and C...C (11.2%) for one cation and H...O/O...H (46.3%), H...H (20%) and O...C/C...O (10.6%) for the other.</description><identifier>ISSN: 2056-9890</identifier><identifier>EISSN: 2056-9890</identifier><identifier>DOI: 10.1107/S2056989022010167</identifier><language>eng</language><ispartof>Acta crystallographica. Section E, Crystallographic communications, 2022-12, Vol.78 (12), p.1151-1155</ispartof><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-2815-6555</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,864,27924,27925</link.rule.ids></links><search><creatorcontrib>Boutebdja, Mehdi</creatorcontrib><creatorcontrib>Benarous, Nesrine</creatorcontrib><creatorcontrib>Boulkedid, Ahlem Linda</creatorcontrib><creatorcontrib>Lehleh, Asma</creatorcontrib><creatorcontrib>Beghidja, Adel</creatorcontrib><title>A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis</title><title>Acta crystallographica. Section E, Crystallographic communications</title><description>The title compound, C
8
H
8
NO
4
+
·NO
3
−
·H
2
O, crystallizes in the same space group (
P
2
1
/
c
) as the previously reported dihydrate form [Liang & Zhu (2010).
Acta Cryst.
E
66
, o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked into a three-dimensional network by classical intermolecular O—H...O and N—H...O hydrogen bonds and π–π stacking interactions. A Hirshfeld surface (HS) analysis indicated that the most important contributions to the crystal packing are from H...O/O...H (52.4%), H...H (13.9%) and C...C (11.2%) for one cation and H...O/O...H (46.3%), H...H (20%) and O...C/C...O (10.6%) for the other.</description><issn>2056-9890</issn><issn>2056-9890</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNplkM1KxDAYRYMoOOg8gLssFax-SZqfuhsGdYQBF-q6JGnCRNpEkhbt20vRheDqXg6XuzgIXRC4IQTk7QsFLhrVAKVAgAh5hFYLqhZ2_KefonUp7wBAas4EpyvUb3B0n_hySDEd5i7r0V1hn_KAk8fsmlddsDqb9DXrGPoQwzTgGMZld4dtnsuoe1zGPNlxyg7r2OFdyOXgXd_hMmWv7UJ1P5dQztGJ131x6988Q28P96_bXbV_fnzabvaVJZzLygqqOWhRWyNBGODKWwkgoGHKa68a2jBTM8-Mc0y62rgGvOmco1IZJRQ7Q-Tn1-ZUSna-_chh0HluCbSLsfafMfYNYeFfLg</recordid><startdate>20221201</startdate><enddate>20221201</enddate><creator>Boutebdja, Mehdi</creator><creator>Benarous, Nesrine</creator><creator>Boulkedid, Ahlem Linda</creator><creator>Lehleh, Asma</creator><creator>Beghidja, Adel</creator><scope>AAYXX</scope><scope>CITATION</scope><orcidid>https://orcid.org/0000-0002-2815-6555</orcidid></search><sort><creationdate>20221201</creationdate><title>A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis</title><author>Boutebdja, Mehdi ; Benarous, Nesrine ; Boulkedid, Ahlem Linda ; Lehleh, Asma ; Beghidja, Adel</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1557-c62a50a64cb706b058fc70060938faf89293b43f3bee37e4be90fbdee278b8683</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Boutebdja, Mehdi</creatorcontrib><creatorcontrib>Benarous, Nesrine</creatorcontrib><creatorcontrib>Boulkedid, Ahlem Linda</creatorcontrib><creatorcontrib>Lehleh, Asma</creatorcontrib><creatorcontrib>Beghidja, Adel</creatorcontrib><collection>CrossRef</collection><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Boutebdja, Mehdi</au><au>Benarous, Nesrine</au><au>Boulkedid, Ahlem Linda</au><au>Lehleh, Asma</au><au>Beghidja, Adel</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis</atitle><jtitle>Acta crystallographica. Section E, Crystallographic communications</jtitle><date>2022-12-01</date><risdate>2022</risdate><volume>78</volume><issue>12</issue><spage>1151</spage><epage>1155</epage><pages>1151-1155</pages><issn>2056-9890</issn><eissn>2056-9890</eissn><abstract>The title compound, C
8
H
8
NO
4
+
·NO
3
−
·H
2
O, crystallizes in the same space group (
P
2
1
/
c
) as the previously reported dihydrate form [Liang & Zhu (2010).
Acta Cryst.
E
66
, o667], but with two formula units per asymmetric unit instead of one. In the crystal, the components are linked into a three-dimensional network by classical intermolecular O—H...O and N—H...O hydrogen bonds and π–π stacking interactions. A Hirshfeld surface (HS) analysis indicated that the most important contributions to the crystal packing are from H...O/O...H (52.4%), H...H (13.9%) and C...C (11.2%) for one cation and H...O/O...H (46.3%), H...H (20%) and O...C/C...O (10.6%) for the other.</abstract><doi>10.1107/S2056989022010167</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0002-2815-6555</orcidid><oa>free_for_read</oa></addata></record> |
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| source | DOAJ Directory of Open Access Journals; PubMed Central Open Access; PubMed Central; Free Full-Text Journals in Chemistry |
| title | A new (monohydrate) form of 3,5-dicarboxyanilinium nitrate: crystal structure and Hirshfeld surface analysis |
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