✦ LIBER ✦

Low-temperature redetermination of 1H-indole-3-carbaldehyde

✍ Scribed by Ng, Seik Weng

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 670 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807019915

No coin nor oath required. For personal study only.

✦ Synopsis

The crystal structure of the title compound, (I), indole-3-carboxaldehyde was refined to R(F) = 0.053 from room-temperature diffraction measurements (Golubev & Kondrashev, 1984). This re-refinement represents an improvement; all H atoms were located and refined. In the crystal structure, the molecules are linked by an N-H•••O hydrogen bond (Table 1) to form a helical C(6) chain that propagates along the c-axis.

Experimental

Commercially-available indole-3-carboxaldehyde was recrystallized from ethanol to yield crystals of (I).

Refinement

Anomalous dispersion was negligible and Friedel pairs were merged before refinement. All the H atoms were located in difference maps and their positions and U iso values were freely refined.

📜 SIMILAR VOLUMES

5-Bromo-1H-indole-3-carbaldehyde 3-metho

5-Bromo-1H-indole-3-carbaldehyde 3-methoxybenzoylhydrazone

✍ Ali, Hapipah M. ;Abdul Halim, Siti Nadiah ;Ng, Seik Weng 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 239 KB

Molecules of 5-bromo-1H-indole-3-carbaldehyde 3-methoxybenzoylylhydrazone, C 17 H 14 BrN 3 O 2 , are paired by aminocarbonyl hydrogen bonds over a center of inversion, and adjacent pairs are further linked by hydrogen bonds into ribbons.

5-Chloro-1H-indole-3-carbaldehyde benzoy

5-Chloro-1H-indole-3-carbaldehyde benzoylhydrazone

✍ Ali, Hapipah M. ;Najwa, Mohd Idris ;Xie, Ming-Jin ;Ng, Seik Weng 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 148 KB

In the title compound, C 16 H 12 ClN 3 O, the amide O atom serves as an N-HÁ Á ÁO hydrogen-bond acceptor to the amide and amine groups of two adjacent molecules, resulting in a layered structure.

1H-Indole-3-carbaldehyde 2-nitrobenzoyl

1H-Indole-3-carbaldehyde 2-nitrobenzoylhydrazone hemihydrate

✍ Ali, Hapipah M. ;Abdul Halim, Siti Nadiah ;Ng, Seik Weng 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 121 KB

In the title structure, C 16 H 12 N 4 O 3 Á0.5H 2 O, the uncoordinated water molecule lies on a special position of site symmetry 2; O-HÁ Á ÁO and N-HÁ Á ÁO hydrogen bonds link the water and organic molecules into a layer structure.

1-(4-Methoxybenzyl)-1H-indole-3-carbal

1-(4-Methoxybenzyl)-1H-indole-3-carbaldehyde

✍ Sonar, Vijayakumar N. ;Parkin, Sean ;Crooks, Peter A. 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 232 KB

5-Bromo-1H-indole-3-carbaldehyde 2-thie

5-Bromo-1H-indole-3-carbaldehyde 2-thienoylhydrazone

✍ Ali, Hapipah M. ;Abdul Halim, Siti Nadiah ;Lajis, Nordin Hj. ;Basirun, Wan Jefri 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 105 KB

In the title molecule, C 14 H 10 BrN 3 OS, the indole moiety is twisted by 36.0 (2) with respect to the disordered thienyl group and the nitrogen-bound H atoms interact with the amide O atoms of symmetry-related molecules, resulting in an N-HÁ Á ÁO hydrogen-bonded layer structure.

2-Methyl-1H-indole-3-carbaldehyde 2-thie

2-Methyl-1H-indole-3-carbaldehyde 2-thienoylhydrazone

✍ Ali, Hapipah M. ;Najwa, Mohd Idris ;Xie, Ming-Jin ;Ng, Seik Weng 📂 Article 📅 2006 🏛 International Union of Crystallography 🌐 English ⚖ 166 KB

In the title compound, C 15 H 13 N 3 OS, the amide H atom interacts with the amide O atom of an adjacent molecule [NÁ Á ÁO = 3.027 (4) A ˚] to form a zigzag chain that runs along the c axis of the monoclinic unit cell.