Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide
The title compound, C3H4Cl3NO2, crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxethyl)form...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-12-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015020459 |
| _version_ | 1818960435644203008 |
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| author | Mahimaidoss Baby Mariyatra Helen Stoeckli-Evans |
| author_facet | Mahimaidoss Baby Mariyatra Helen Stoeckli-Evans |
| author_sort | Mahimaidoss Baby Mariyatra |
| collection | DOAJ |
| description | The title compound, C3H4Cl3NO2, crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxethyl)formamide chains are very similar, as indicated by the C—N(H)—C=O and C—N(H)—C—O(H) torsion angles, which are, respectively, −1.8 (3) and −91.5 (2)° for molecule A, and −2.1 (3) and −95.7 (2)° for molecule B. In the crystal, individual molecules are linked by pairs of O—H...O hydrogen bonds, forming A–A and B–B inversion dimers with R22(12) ring motifs. The dimers are linked via N—H...O hydrogen bonds, forming alternating layers of A and B molecules parallel to the bc plane. Within the layers of B molecules, there are weak C—H...Cl hydrogen bonds present. |
| first_indexed | 2024-12-20T11:57:30Z |
| format | Article |
| id | doaj.art-b713ac6996a54f3fb873a1883913879b |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-12-20T11:57:30Z |
| publishDate | 2015-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-b713ac6996a54f3fb873a1883913879b2022-12-21T19:41:36ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-12-0171121501150410.1107/S2056989015020459hg5462Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamideMahimaidoss Baby Mariyatra0Helen Stoeckli-Evans1Department of Chemistry, St. Xavier's College, Palayamkottai 627 002, IndiaInstitute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, SwitzerlandThe title compound, C3H4Cl3NO2, crystallized with two independent molecules (A and B) in the asymmetric unit. The two molecules have the same conformation; the molecular overlap gives weighted and unit-weight r.m.s. fits of 0.047 and 0.043 Å, respectively. The conformation of the N-(hydroxethyl)formamide chains are very similar, as indicated by the C—N(H)—C=O and C—N(H)—C—O(H) torsion angles, which are, respectively, −1.8 (3) and −91.5 (2)° for molecule A, and −2.1 (3) and −95.7 (2)° for molecule B. In the crystal, individual molecules are linked by pairs of O—H...O hydrogen bonds, forming A–A and B–B inversion dimers with R22(12) ring motifs. The dimers are linked via N—H...O hydrogen bonds, forming alternating layers of A and B molecules parallel to the bc plane. Within the layers of B molecules, there are weak C—H...Cl hydrogen bonds present.http://scripts.iucr.org/cgi-bin/paper?S2056989015020459crystal structuretrichlorohydroxyethylformamidehydrogen bonding |
| spellingShingle | Mahimaidoss Baby Mariyatra Helen Stoeckli-Evans Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide Acta Crystallographica Section E: Crystallographic Communications crystal structure trichlorohydroxyethyl formamide hydrogen bonding |
| title | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
| title_full | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
| title_fullStr | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
| title_full_unstemmed | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
| title_short | Crystal structure of N-(2,2,2-trichloro-1-hydroxyethyl)formamide |
| title_sort | crystal structure of n 2 2 2 trichloro 1 hydroxyethyl formamide |
| topic | crystal structure trichlorohydroxyethyl formamide hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015020459 |
| work_keys_str_mv | AT mahimaidossbabymariyatra crystalstructureofn222trichloro1hydroxyethylformamide AT helenstoecklievans crystalstructureofn222trichloro1hydroxyethylformamide |