2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph
A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21/c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993). Acta Cryst. C49, 354–...
| Published in: | Acta Crystallographica Section E |
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| Main Authors: | , , , , |
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2011-10-01
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811038013 |
| _version_ | 1852716091640381440 |
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| author | Karla Fejfarová Jaime Ríos-Motta Mauricio Maldonado Augusto Rivera Michal Dušek |
| author_facet | Karla Fejfarová Jaime Ríos-Motta Mauricio Maldonado Augusto Rivera Michal Dušek |
| author_sort | Karla Fejfarová |
| collection | DOAJ |
| container_title | Acta Crystallographica Section E |
| description | A new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21/c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993). Acta Cryst. C49, 354–355]. The hexahydropyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-C[triple-bond]N groups oriented nearly parallel and in the same direction [NC—CH2...CH2—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, intermolecular C—H... N hydrogen bonds connects the molecules into a chain along the b axis. |
| format | Article |
| id | doaj-art-cfbb2de152384beb9f7e65ffa3a9ea7e |
| institution | Directory of Open Access Journals |
| issn | 1600-5368 |
| language | English |
| publishDate | 2011-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| spelling | doaj-art-cfbb2de152384beb9f7e65ffa3a9ea7e2025-08-19T21:14:29ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-10-016710o2734o273410.1107/S16005368110380132,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorphKarla FejfarováJaime Ríos-MottaMauricio MaldonadoAugusto RiveraMichal DušekA new monoclinic polymorph of the title compound, C8H12N4, in the space group P21/n (Z = 4) is reported. The previously known form was also monoclinic, P21/c (Z = 4), but the unit-cell parameters and crystal packing were different [Shoja & Saba (1993). Acta Cryst. C49, 354–355]. The hexahydropyrimidine ring of the title compound adopts a chair conformation with a diequatorial substitution and with the CH2-C[triple-bond]N groups oriented nearly parallel and in the same direction [NC—CH2...CH2—CN pseudo torsion angle = −6.27 (18)°]. In the crystal, intermolecular C—H... N hydrogen bonds connects the molecules into a chain along the b axis.http://scripts.iucr.org/cgi-bin/paper?S1600536811038013 |
| spellingShingle | Karla Fejfarová Jaime Ríos-Motta Mauricio Maldonado Augusto Rivera Michal Dušek 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title_full | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title_fullStr | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title_full_unstemmed | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title_short | 2,2′-(1,3-Diazinane-1,3-diyl)diacetonitrile: a second monoclinic polymorph |
| title_sort | 2 2 amp 8242 1 3 diazinane 1 3 diyl diacetonitrile a second monoclinic polymorph |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811038013 |
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